1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine

C61H129N7 — CID 157492291

IUPAC1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)CCC1CCN(C(C)C)CC1.CC(C)CCN1CCC(C(C)C)C1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCN(C(C)C)C1.CC(C)CCN1CCN(C(C)C)CC1
InChIInChI=1S/2C13H27N.C12H26N2.C12H25N.C11H24N2/c1-11(2)5-8-14-9-6-13(7-10-14)12(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-10(2)5-7-13-8-6-12(9-13)11(3)4;1-10(2)5-6-12-7-8-13(9-12)11(3)4/h2*11-13H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3
InChIKeyBXKPQPRXMXCUKA-UHFFFAOYSA-N
MW960.75 g/mol
LogP14.03
Rot. Bonds20

About 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine

1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine (PubChem CID 157492291) has the molecular formula C61H129N7 and a molecular weight of 960.75 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine
PubChem CID157492291
Molecular FormulaC61H129N7
Molecular Weight960.75 g/mol
Exact Mass960.03
IUPAC Name1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)CCC1CCN(C(C)C)CC1.CC(C)CCN1CCC(C(C)C)C1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCN(C(C)C)C1.CC(C)CCN1CCN(C(C)C)CC1
InChIInChI=1S/2C13H27N.C12H26N2.C12H25N.C11H24N2/c1-11(2)5-8-14-9-6-13(7-10-14)12(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-10(2)5-7-13-8-6-12(9-13)11(3)4;1-10(2)5-6-12-7-8-13(9-12)11(3)4/h2*11-13H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3
InChIKeyBXKPQPRXMXCUKA-UHFFFAOYSA-N
XLogP14.03
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.75
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine with MolForge

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Related Compounds

1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 157442108
1-(5,5-Dimethylhexyl)pyrrolidine;2-(4,4-dimethylpentyl)-1-methylpyrrolidine;1-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2,2,8,8-tetramethylnonane
CID 157686078
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158680282
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158973700
1,2-Ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
CID 159835138
3,8-Di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 160202769
1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 160451818
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine
CID 160963257
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 162233158
1-(Cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 167613426
1-[17-(4-Aza-1-azoniabicyclo[2.2.1]heptan-1-yl)-7-methylheptadecyl]-1-azoniabicyclo[2.2.2]octane
CID 169178851
[4-[1-[1-[2,4-Dimethyl-4-(3-propan-2-ylpyrrolidin-1-yl)pentyl]-4-propan-2-ylpyrrolidin-3-yl]propan-2-yl]piperazin-1-yl]-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 170221518

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine (CID 157492291) is 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine is CC(C)CCC1CCN(C(C)C)CC1.CC(C)CCN1CCC(C(C)C)C1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCN(C(C)C)C1.CC(C)CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine?
The InChIKey is BXKPQPRXMXCUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27N.C12H26N2.C12H25N.C11H24N2/c1-11(2)5-8-14-9-6-13(7-10-14)12(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-10(2)5-7-13-8-6-12(9-13)11(3)4;1-10(2)5-6-12-7-8-13(9-12)11(3)4/h2*11-13H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine?
1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine has a molecular weight of 960.75 g/mol, XLogP of 14.03, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 157492291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).