1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine

C16H30N2 — CID 103903178

IUPAC1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2(C)CCC2)CC1
InChIInChI=1S/C16H30N2/c1-14(2)5-10-18-11-6-15(7-12-18)17-13-16(3)8-4-9-16/h5,15,17H,4,6-13H2,1-3H3
InChIKeyAGHOGNJCIWFTAS-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.20
Rot. Bonds5

About 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine (PubChem CID 103903178) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
PubChem CID103903178
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2(C)CCC2)CC1
InChIInChI=1S/C16H30N2/c1-14(2)5-10-18-11-6-15(7-12-18)17-13-16(3)8-4-9-16/h5,15,17H,4,6-13H2,1-3H3
InChIKeyAGHOGNJCIWFTAS-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
CID 86804399
N-(3-methylbut-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 103605381
1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 103605382
1-ethyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 103605383
1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 123740105
ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 144804921
N-[2-[7-(2-methylprop-2-enyl)-7-azaspiro[3.5]nonan-2-yl]ethyl]propan-2-amine
CID 156523600
7-(cyclopropylmethyl)-N-(2-methylprop-2-enyl)-7-azaspiro[3.5]nonan-2-amine
CID 168259359
ethane;N-methyl-1-[(E)-2-methylbut-2-enyl]piperidin-4-amine
CID 172265812
N-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 43607256
N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43754885
1-(3-methylbut-2-enyl)-N-propylpiperidin-4-amine
CID 43755020

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine (CID 103903178) is 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine is CC(C)=CCN1CCC(NCC2(C)CCC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine?
The InChIKey is AGHOGNJCIWFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14(2)5-10-18-11-6-15(7-12-18)17-13-16(3)8-4-9-16/h5,15,17H,4,6-13H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine is sourced from PubChem (CID 103903178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).