N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine

C18H37N — CID 82935925

IUPACN-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(CC(CC)CC)C1
InChIInChI=1S/C18H37N/c1-5-9-16-10-11-17(14-19-8-4)18(13-16)12-15(6-2)7-3/h15-19H,5-14H2,1-4H3
InChIKeyYLMSXYIXKQHCIM-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds9

About N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine

N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 82935925) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
PubChem CID82935925
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(CC(CC)CC)C1
InChIInChI=1S/C18H37N/c1-5-9-16-10-11-17(14-19-8-4)18(13-16)12-15(6-2)7-3/h15-19H,5-14H2,1-4H3
InChIKeyYLMSXYIXKQHCIM-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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-[[2-(2-ethylbutyl)-4-propylcyclohexyl]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-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine
CID 81018447
1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
CID 82934632
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
N-[[4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 116628199
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
CID 55187488
2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029546
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine
CID 103020129
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine (CID 82935925) is N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)C(CC(CC)CC)C1.
What is the InChIKey of N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is YLMSXYIXKQHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-9-16-10-11-17(14-19-8-4)18(13-16)12-15(6-2)7-3/h15-19H,5-14H2,1-4H3.
What are the key properties of N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 82935925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).