[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine

C18H29N — CID 65423125

IUPAC[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N/c1-3-4-16-9-11-18(14-19,12-10-16)13-17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14,19H2,1-2H3
InChIKeyDDFQQRLFPQJYGM-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.47
Rot. Bonds5

About [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine

[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 65423125) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID65423125
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N/c1-3-4-16-9-11-18(14-19,12-10-16)13-17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14,19H2,1-2H3
InChIKeyDDFQQRLFPQJYGM-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine (CID 65423125) is [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(Cc2ccc(C)cc2)CC1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is DDFQQRLFPQJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-4-16-9-11-18(14-19,12-10-16)13-17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14,19H2,1-2H3.
What are the key properties of [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine?
[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 65423125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).