1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine

C16H32N2 — CID 113464354

IUPAC1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(NCC2CC2C)CC1
InChIInChI=1S/C16H32N2/c1-3-5-14-6-4-8-16(12-17,9-7-14)18-11-15-10-13(15)2/h13-15,18H,3-12,17H2,1-2H3
InChIKeyIXHWITPAHXDYLG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.31
Rot. Bonds6

About 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine

1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 113464354) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine
PubChem CID113464354
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(NCC2CC2C)CC1
InChIInChI=1S/C16H32N2/c1-3-5-14-6-4-8-16(12-17,9-7-14)18-11-15-10-13(15)2/h13-15,18H,3-12,17H2,1-2H3
InChIKeyIXHWITPAHXDYLG-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207
1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine
CID 65384430
1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine
CID 65380981
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
CID 65382362
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
CID 65193341
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417
2-[4-propyl-1-(propylamino)cycloheptyl]acetamide
CID 65235539
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
1-(aminomethyl)-N-but-3-ynyl-4-ethylcycloheptan-1-amine
CID 116641005
1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
CID 65086896
2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
CID 65236883

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine (CID 113464354) is 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(CN)(NCC2CC2C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is IXHWITPAHXDYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-5-14-6-4-8-16(12-17,9-7-14)18-11-15-10-13(15)2/h13-15,18H,3-12,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine?
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 113464354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).