N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine

C18H30N2 — CID 81029704

IUPACN-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1Cc1ccncc1
InChIInChI=1S/C18H30N2/c1-4-19-13-17-6-5-16(14(2)3)12-18(17)11-15-7-9-20-10-8-15/h7-10,14,16-19H,4-6,11-13H2,1-3H3
InChIKeyHIUJZLSQSXQFOQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.92
Rot. Bonds6

About N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine

N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine (PubChem CID 81029704) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
PubChem CID81029704
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1Cc1ccncc1
InChIInChI=1S/C18H30N2/c1-4-19-13-17-6-5-16(14(2)3)12-18(17)11-15-7-9-20-10-8-15/h7-10,14,16-19H,4-6,11-13H2,1-3H3
InChIKeyHIUJZLSQSXQFOQ-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine 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

N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489
N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 104737416
N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029843
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022215
N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031877
N-[(2-benzylcyclopropyl)methyl]ethanamine
CID 62703862
[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene
CID 158591556

Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine (CID 81029704) is N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)C)CC1Cc1ccncc1.
What is the InChIKey of N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is HIUJZLSQSXQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-19-13-17-6-5-16(14(2)3)12-18(17)11-15-7-9-20-10-8-15/h7-10,14,16-19H,4-6,11-13H2,1-3H3.
What are the key properties of N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine?
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81029704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).