N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine

C15H30N2 — CID 114100509

IUPACN-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCC2CCCCC2N)CC1
InChIInChI=1S/C15H30N2/c1-12-5-4-7-14(10-9-12)17-11-13-6-2-3-8-15(13)16/h12-15,17H,2-11,16H2,1H3
InChIKeyAVWDNSAJBAUAMH-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.06
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine

N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 114100509) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
PubChem CID114100509
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCC2CCCCC2N)CC1
InChIInChI=1S/C15H30N2/c1-12-5-4-7-14(10-9-12)17-11-13-6-2-3-8-15(13)16/h12-15,17H,2-11,16H2,1H3
InChIKeyAVWDNSAJBAUAMH-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(cyclopentylamino)methyl]cyclopentan-1-amine
CID 64853218
trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
CID 66594618
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
[(5-methylcyclononyl)amino]methanol
CID 155469542
N-cyclopentyl-4-methylcycloheptan-1-amine
CID 65081210
N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81033733
2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929988
N-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
(1S)-2-(methylaminomethyl)cyclohexan-1-amine
CID 129138174
3-N-[(2-methylcyclopentyl)methyl]cyclopentane-1,3-diamine
CID 107417313

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine (CID 114100509) is N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine is CC1CCCC(NCC2CCCCC2N)CC1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is AVWDNSAJBAUAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12-5-4-7-14(10-9-12)17-11-13-6-2-3-8-15(13)16/h12-15,17H,2-11,16H2,1H3.
What are the key properties of N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine?
N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 114100509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).