1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine

C18H30N2 — CID 63480657

IUPAC1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
SMILESCCCN(Cc1ccccc1)C1(CN)CCCCCC1
InChIInChI=1S/C18H30N2/c1-2-14-20(15-17-10-6-5-7-11-17)18(16-19)12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-16,19H2,1H3
InChIKeyKXUOTHMJXHLISB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.95
Rot. Bonds6

About 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine

1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine (PubChem CID 63480657) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
PubChem CID63480657
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
SMILESCCCN(Cc1ccccc1)C1(CN)CCCCCC1
InChIInChI=1S/C18H30N2/c1-2-14-20(15-17-10-6-5-7-11-17)18(16-19)12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-16,19H2,1H3
InChIKeyKXUOTHMJXHLISB-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62006198
N-benzyl-N,1-dipropylcyclopropan-1-amine
CID 90378697
1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine
CID 65088362
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 63486852
1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
CID 62008128
1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
CID 62006003
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 113227822
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine (CID 63480657) is 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine is CCCN(Cc1ccccc1)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine?
The InChIKey is KXUOTHMJXHLISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-14-20(15-17-10-6-5-7-11-17)18(16-19)12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-16,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine?
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine is sourced from PubChem (CID 63480657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).