1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine

C17H27ClN2 — CID 65384018

IUPAC1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-2-5-14-6-4-10-17(13-19,11-9-14)20-16-8-3-7-15(18)12-16/h3,7-8,12,14,20H,2,4-6,9-11,13,19H2,1H3
InChIKeyGGPXPYCSOUYCMG-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.83
Rot. Bonds5

About 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine

1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine (PubChem CID 65384018) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
PubChem CID65384018
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-2-5-14-6-4-10-17(13-19,11-9-14)20-16-8-3-7-15(18)12-16/h3,7-8,12,14,20H,2,4-6,9-11,13,19H2,1H3
InChIKeyGGPXPYCSOUYCMG-UHFFFAOYSA-N
XLogP4.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
1-(3-chloroanilino)-4-propylcycloheptane-1-carbonitrile
CID 65088959
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-3-chloroaniline
CID 107429079
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
CID 65384023
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine
CID 65384430
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
CID 65193341
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824
3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
CID 65384870
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine (CID 65384018) is 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(CN)(Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine?
The InChIKey is GGPXPYCSOUYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-2-5-14-6-4-10-17(13-19,11-9-14)20-16-8-3-7-15(18)12-16/h3,7-8,12,14,20H,2,4-6,9-11,13,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine?
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65384018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).