1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)

C64H132N6 — CID 157108199

IUPAC1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)
SMILESCC(C)CC1CCC(CC(C)C)C1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C13H26N2.2C13H27N.C13H26.C12H26N2/c1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4;2*1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;1-10(2)7-12-5-6-13(9-12)8-11(3)4;1-11(2)9-13-5-7-14(8-6-13)10-12(3)4/h10-13H,5-9H2,1-4H3;2*11-13H,5-10H2,1-4H3;10-13H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeyAGNWQBLPXUJRQC-UHFFFAOYSA-N
MW985.80 g/mol
LogP15.27
Rot. Bonds20

About 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)

1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine) (PubChem CID 157108199) has the molecular formula C64H132N6 and a molecular weight of 985.80 g/mol. Its IUPAC name is 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine).

Molecular Properties

Compound Name1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)
PubChem CID157108199
Molecular FormulaC64H132N6
Molecular Weight985.80 g/mol
Exact Mass985.05
IUPAC Name1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)
SMILESCC(C)CC1CCC(CC(C)C)C1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C13H26N2.2C13H27N.C13H26.C12H26N2/c1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4;2*1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;1-10(2)7-12-5-6-13(9-12)8-11(3)4;1-11(2)9-13-5-7-14(8-6-13)10-12(3)4/h10-13H,5-9H2,1-4H3;2*11-13H,5-10H2,1-4H3;10-13H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeyAGNWQBLPXUJRQC-UHFFFAOYSA-N
XLogP15.27
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.80
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine) with MolForge

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Related Compounds

2-(1-Azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
CID 57312536
Carbanide;bis(4-methyl-2-(4-methylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
CID 59582768
2,5-Bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine);1,3-bis(2-methylpropyl)pyrrolidine
CID 157403411
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
2,5-Di(propan-2-yl)-2-azabicyclo[2.2.2]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine
CID 158474640
2,3-Dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)
CID 158695141
(1R,4R)-2-propan-2-yl-5-[3-[1-[5-[4-[(1R)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]hexan-2-yl]piperidin-4-yl]propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 167088972
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
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine
CID 167641118
9-tert-butyl-3-[5-[1-[[(3S)-1-[5-[1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]-2,5-dimethylhexan-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-2,5-dimethylhexan-2-yl]-3,9-diazaspiro[5.5]undecane
CID 169578158

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)?
The IUPAC name of 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine) (CID 157108199) is 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine).
What is the SMILES notation for 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)?
The canonical SMILES for 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine) is CC(C)CC1CCC(CC(C)C)C1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CC1CCN(CC(C)C)CC1.CC(C)CN1CC2CC1CN2CC(C)C.CC(C)CN1CCN(CC(C)C)CC1.
What is the InChIKey of 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)?
The InChIKey is AGNWQBLPXUJRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2C13H27N.C13H26.C12H26N2/c1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4;2*1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;1-10(2)7-12-5-6-13(9-12)8-11(3)4;1-11(2)9-13-5-7-14(8-6-13)10-12(3)4/h10-13H,5-9H2,1-4H3;2*11-13H,5-10H2,1-4H3;10-13H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3.
What are the key properties of 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)?
1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine) has a molecular weight of 985.80 g/mol, XLogP of 15.27, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine) is sourced from PubChem (CID 157108199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).