4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine

C17H28N2 — CID 116937134

IUPAC4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC(C)Cc1ccc(C(N)C2CCC(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-12(2)11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-6,12,15-17H,7-11,18-19H2,1-2H3
InChIKeyPORUEICULWOBGU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.40
Rot. Bonds4

About 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine

4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 116937134) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID116937134
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC(C)Cc1ccc(C(N)C2CCC(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-12(2)11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-6,12,15-17H,7-11,18-19H2,1-2H3
InChIKeyPORUEICULWOBGU-UHFFFAOYSA-N
XLogP3.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
[4-[(R)-amino(cyclopropyl)methyl]phenyl]methanol
CID 130727327
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
CID 115149662
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene
CID 63435610
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
CID 103165712

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine (CID 116937134) is 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine is CC(C)Cc1ccc(C(N)C2CCC(N)CC2)cc1.
What is the InChIKey of 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is PORUEICULWOBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-6,12,15-17H,7-11,18-19H2,1-2H3.
What are the key properties of 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine?
4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 116937134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).