4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine

C16H26N2 — CID 79724803

IUPAC4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
SMILESCCC(C)c1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-12(2)13-4-8-15(9-5-13)18-16-10-6-14(17)7-11-16/h4-5,8-9,12,14,16,18H,3,6-7,10-11,17H2,1-2H3
InChIKeyBJROOUURJNAUSF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.88
Rot. Bonds4

About 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine

4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine (PubChem CID 79724803) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
PubChem CID79724803
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
SMILESCCC(C)c1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-12(2)13-4-8-15(9-5-13)18-16-10-6-14(17)7-11-16/h4-5,8-9,12,14,16,18H,3,6-7,10-11,17H2,1-2H3
InChIKeyBJROOUURJNAUSF-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
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4-N-(4-methylsulfanylphenyl)cyclohexane-1,4-diamine
CID 79736798
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
4-butan-2-yl-N-(dicyclopropylmethyl)aniline
CID 43681135
4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926323
4-butan-2-yl-N-methylaniline
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CID 103820851

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine (CID 79724803) is 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine is CCC(C)c1ccc(NC2CCC(N)CC2)cc1.
What is the InChIKey of 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine?
The InChIKey is BJROOUURJNAUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-12(2)13-4-8-15(9-5-13)18-16-10-6-14(17)7-11-16/h4-5,8-9,12,14,16,18H,3,6-7,10-11,17H2,1-2H3.
What are the key properties of 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine?
4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).