N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine

C20H33N — CID 116544174

IUPACN-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C1CCCC(C)C1
InChIInChI=1S/C20H33N/c1-4-8-17-10-7-12-19(15-17)20(21-13-5-2)18-11-6-9-16(3)14-18/h7,10,12,15-16,18,20-21H,4-6,8-9,11,13-14H2,1-3H3
InChIKeyVGQFUHQWRFWBBY-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.51
Rot. Bonds7

About N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine

N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine (PubChem CID 116544174) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
PubChem CID116544174
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C1CCCC(C)C1
InChIInChI=1S/C20H33N/c1-4-8-17-10-7-12-19(15-17)20(21-13-5-2)18-11-6-9-16(3)14-18/h7,10,12,15-16,18,20-21H,4-6,8-9,11,13-14H2,1-3H3
InChIKeyVGQFUHQWRFWBBY-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-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
[(3-methylcyclohexyl)-(4-propylphenyl)methyl]hydrazine
CID 105210218

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine (CID 116544174) is N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CCC)c1)C1CCCC(C)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine?
The InChIKey is VGQFUHQWRFWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-8-17-10-7-12-19(15-17)20(21-13-5-2)18-11-6-9-16(3)14-18/h7,10,12,15-16,18,20-21H,4-6,8-9,11,13-14H2,1-3H3.
What are the key properties of N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine?
N-[(3-methylcyclohexyl)-(3-propylphenyl)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-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 116544174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).