1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

C18H29N — CID 107430142

IUPAC1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCc1cccc(CC2(N)CCCC(CC(C)C)C2)c1
InChIInChI=1S/C18H29N/c1-14(2)10-16-8-5-9-18(19,12-16)13-17-7-4-6-15(3)11-17/h4,6-7,11,14,16H,5,8-10,12-13,19H2,1-3H3
InChIKeyGGQJZIMUOVUWFV-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.47
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107430142) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107430142
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCc1cccc(CC2(N)CCCC(CC(C)C)C2)c1
InChIInChI=1S/C18H29N/c1-14(2)10-16-8-5-9-18(19,12-16)13-17-7-4-6-15(3)11-17/h4,6-7,11,14,16H,5,8-10,12-13,19H2,1-3H3
InChIKeyGGQJZIMUOVUWFV-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107430142) is 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is Cc1cccc(CC2(N)CCCC(CC(C)C)C2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is GGQJZIMUOVUWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)10-16-8-5-9-18(19,12-16)13-17-7-4-6-15(3)11-17/h4,6-7,11,14,16H,5,8-10,12-13,19H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107430142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).