N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine

C20H33N — CID 104992292

IUPACN-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1CC)C1CCCC(CC)C1
InChIInChI=1S/C20H33N/c1-4-14-21-20(18-12-9-10-16(5-2)15-18)19-13-8-7-11-17(19)6-3/h7-8,11,13,16,18,20-21H,4-6,9-10,12,14-15H2,1-3H3
InChIKeyBSXPVTNCCFJJFT-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.51
Rot. Bonds7

About N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine

N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine (PubChem CID 104992292) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
PubChem CID104992292
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1CC)C1CCCC(CC)C1
InChIInChI=1S/C20H33N/c1-4-14-21-20(18-12-9-10-16(5-2)15-18)19-13-8-7-11-17(19)6-3/h7-8,11,13,16,18,20-21H,4-6,9-10,12,14-15H2,1-3H3
InChIKeyBSXPVTNCCFJJFT-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 104992458
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767
N-[(1,1-dioxothiolan-3-yl)-(2-ethylphenyl)methyl]propan-1-amine
CID 62390710
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 105156216
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105156132
[(3-ethylcyclohexyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105232856
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine (CID 104992292) is N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1CC)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine?
The InChIKey is BSXPVTNCCFJJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-14-21-20(18-12-9-10-16(5-2)15-18)19-13-8-7-11-17(19)6-3/h7-8,11,13,16,18,20-21H,4-6,9-10,12,14-15H2,1-3H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine?
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 104992292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).