N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine

C19H37N — CID 81032192

IUPACN-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCCC1CCCC(C2CC(C)CCC2CNC(C)C)C1
InChIInChI=1S/C19H37N/c1-5-16-7-6-8-17(12-16)19-11-15(4)9-10-18(19)13-20-14(2)3/h14-20H,5-13H2,1-4H3
InChIKeyJNFCFGCBRLTZGP-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.25
Rot. Bonds5

About N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine

N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 81032192) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
PubChem CID81032192
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCCC1CCCC(C2CC(C)CCC2CNC(C)C)C1
InChIInChI=1S/C19H37N/c1-5-16-7-6-8-17(12-16)19-11-15(4)9-10-18(19)13-20-14(2)3/h14-20H,5-13H2,1-4H3
InChIKeyJNFCFGCBRLTZGP-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-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

1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 82935222
2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine
CID 81014609
1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
CID 81029060
N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033006
N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
N-[[2-(3-ethylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81034069
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81034865
N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
CID 81034416

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine (CID 81032192) is N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine is CCC1CCCC(C2CC(C)CCC2CNC(C)C)C1.
What is the InChIKey of N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is JNFCFGCBRLTZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-5-16-7-6-8-17(12-16)19-11-15(4)9-10-18(19)13-20-14(2)3/h14-20H,5-13H2,1-4H3.
What are the key properties of N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine?
N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 279.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81032192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).