N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine

C18H37N — CID 104575103

IUPACN-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37N/c1-7-16(8-2)14(3)19-13-15-9-11-17(12-10-15)18(4,5)6/h14-17,19H,7-13H2,1-6H3
InChIKeyHXFYQTMPTCDVCX-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds6

About N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine

N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine (PubChem CID 104575103) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine
PubChem CID104575103
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37N/c1-7-16(8-2)14(3)19-13-15-9-11-17(12-10-15)18(4,5)6/h14-17,19H,7-13H2,1-6H3
InChIKeyHXFYQTMPTCDVCX-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-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

N-[(4-tert-butylcyclohexyl)methyl]pent-1-yn-3-amine
CID 114160546
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
CID 114983139
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232
2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109582
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107695
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
3-[(4-tert-butylcyclohexyl)methylamino]-2-methylpropanenitrile
CID 113428492
(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337815
(2S)-N-(cyclobutylmethyl)-3-methylbutan-2-amine
CID 93279768
N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119808651

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine (CID 104575103) is N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine is CCC(CC)C(C)NCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine?
The InChIKey is HXFYQTMPTCDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-7-16(8-2)14(3)19-13-15-9-11-17(12-10-15)18(4,5)6/h14-17,19H,7-13H2,1-6H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine?
N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine is sourced from PubChem (CID 104575103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).