2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine

C16H26N2 — CID 102571444

IUPAC2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
SMILESCC(C)(C)c1ccc(NC2CCCCC2N)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,18H,4-7,17H2,1-3H3
InChIKeyQOPLXSSDCRGJJP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.67
Rot. Bonds2

About 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine

2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine (PubChem CID 102571444) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
PubChem CID102571444
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
SMILESCC(C)(C)c1ccc(NC2CCCCC2N)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,18H,4-7,17H2,1-3H3
InChIKeyQOPLXSSDCRGJJP-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
4-[(2-aminocyclohexyl)amino]benzoic acid
CID 62230691
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
CID 102571486
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
4-[(2-aminocyclohexyl)amino]benzenesulfonamide
CID 61037515
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 65046952
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-ditert-butylphenol
CID 101099598

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine (CID 102571444) is 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine is CC(C)(C)c1ccc(NC2CCCCC2N)cc1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine?
The InChIKey is QOPLXSSDCRGJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,18H,4-7,17H2,1-3H3.
What are the key properties of 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine?
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102571444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).