N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine

C19H31N — CID 64732839

IUPACN-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCc1ccc(C(CC)NC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C19H31N/c1-5-16-7-9-17(10-8-16)19(6-2)20-18-12-14(3)11-15(4)13-18/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3
InChIKeyLQLQMNGQHOPEFT-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.11
Rot. Bonds5

About N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine

N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64732839) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64732839
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCc1ccc(C(CC)NC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C19H31N/c1-5-16-7-9-17(10-8-16)19(6-2)20-18-12-14(3)11-15(4)13-18/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3
InChIKeyLQLQMNGQHOPEFT-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3,5-dimethylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105197458
N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43434325
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64731661
N-[1-(4-ethylphenyl)propyl]-1,1-dioxothian-3-amine
CID 63923514
1-N-[1-(4-methylphenyl)propyl]cyclobutane-1,3-diamine
CID 80559783
N-[1-(4-ethylphenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43223742
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 112583178
N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine
CID 114543856
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine (CID 64732839) is N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine is CCc1ccc(C(CC)NC2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is LQLQMNGQHOPEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-16-7-9-17(10-8-16)19(6-2)20-18-12-14(3)11-15(4)13-18/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine?
N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64732839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).