4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine

C16H26N2 — CID 115149662

IUPAC4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
SMILESCC(C)Cc1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H26N2/c1-12(2)11-13-3-7-15(8-4-13)18-16-9-5-14(17)6-10-16/h3-4,7-8,12,14,16,18H,5-6,9-11,17H2,1-2H3
InChIKeyYPMIQSKTLKKAEE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds4

About 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine

4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine (PubChem CID 115149662) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
PubChem CID115149662
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
SMILESCC(C)Cc1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H26N2/c1-12(2)11-13-3-7-15(8-4-13)18-16-9-5-14(17)6-10-16/h3-4,7-8,12,14,16,18H,5-6,9-11,17H2,1-2H3
InChIKeyYPMIQSKTLKKAEE-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
CID 79724803
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
4-N-(4-methylsulfanylphenyl)cyclohexane-1,4-diamine
CID 79736798
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 79725282
4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
CID 116937134
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
3-N-[4-[(dimethylamino)methyl]phenyl]cyclopentane-1,3-diamine
CID 79462759
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine (CID 115149662) is 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine is CC(C)Cc1ccc(NC2CCC(N)CC2)cc1.
What is the InChIKey of 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine?
The InChIKey is YPMIQSKTLKKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)11-13-3-7-15(8-4-13)18-16-9-5-14(17)6-10-16/h3-4,7-8,12,14,16,18H,5-6,9-11,17H2,1-2H3.
What are the key properties of 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine?
4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 115149662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).