4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine

C18H29N — CID 116542991

IUPAC4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine
SMILESCCCc1cccc(C2(N)CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H29N/c1-4-6-15-7-5-8-17(13-15)18(19)11-9-16(10-12-18)14(2)3/h5,7-8,13-14,16H,4,6,9-12,19H2,1-3H3
InChIKeyXMEOHJJYRWVGEX-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.64
Rot. Bonds4

About 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine

4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine (PubChem CID 116542991) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine
PubChem CID116542991
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine
SMILESCCCc1cccc(C2(N)CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H29N/c1-4-6-15-7-5-8-17(13-15)18(19)11-9-16(10-12-18)14(2)3/h5,7-8,13-14,16H,4,6,9-12,19H2,1-3H3
InChIKeyXMEOHJJYRWVGEX-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine
CID 116543030
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
4-ethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542251
3-amino-1-(3-propylphenyl)cyclobutan-1-ol
CID 116542728
2-methyl-1-(3-propylphenyl)cyclopentan-1-ol
CID 116542607
4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 55186583
1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411290
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine
CID 116544640
1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine
CID 65099403

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine (CID 116542991) is 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine is CCCc1cccc(C2(N)CCC(C(C)C)CC2)c1.
What is the InChIKey of 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine?
The InChIKey is XMEOHJJYRWVGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-6-15-7-5-8-17(13-15)18(19)11-9-16(10-12-18)14(2)3/h5,7-8,13-14,16H,4,6,9-12,19H2,1-3H3.
What are the key properties of 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine?
4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 116542991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).