N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C19H39N — CID 81024041

IUPACN-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)CC1CCCCC1CNC(C)(C)C
InChIInChI=1S/C19H39N/c1-6-8-11-16(7-2)14-17-12-9-10-13-18(17)15-20-19(3,4)5/h16-18,20H,6-15H2,1-5H3
InChIKeyPUTAJEVHDRQSJB-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.79
Rot. Bonds8

About N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81024041) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81024041
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)CC1CCCCC1CNC(C)(C)C
InChIInChI=1S/C19H39N/c1-6-8-11-16(7-2)14-17-12-9-10-13-18(17)15-20-19(3,4)5/h16-18,20H,6-15H2,1-5H3
InChIKeyPUTAJEVHDRQSJB-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-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-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine
CID 81018447
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627
2-(2-ethylhexyl)-N-methylcyclopentan-1-amine
CID 63400350
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethylhexan-1-amine
CID 114004229
2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544
1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane
CID 123242548
N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine
CID 82935825
2-methyl-N-[(2-pentan-3-ylcyclopentyl)methyl]propan-2-amine
CID 81027395
N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65195011
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908358

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81024041) is N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCCCC(CC)CC1CCCCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PUTAJEVHDRQSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-6-8-11-16(7-2)14-17-12-9-10-13-18(17)15-20-19(3,4)5/h16-18,20H,6-15H2,1-5H3.
What are the key properties of N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.53 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81024041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).