4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine

C16H26N2 — CID 115149697

IUPAC4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine
SMILESCc1ccc(C(C)C)cc1NC1CCC(N)CC1
InChIInChI=1S/C16H26N2/c1-11(2)13-5-4-12(3)16(10-13)18-15-8-6-14(17)7-9-15/h4-5,10-11,14-15,18H,6-9,17H2,1-3H3
InChIKeyZOOUTKWONCSURQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.80
Rot. Bonds3

About 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine

4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine (PubChem CID 115149697) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine
PubChem CID115149697
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine
SMILESCc1ccc(C(C)C)cc1NC1CCC(N)CC1
InChIInChI=1S/C16H26N2/c1-11(2)13-5-4-12(3)16(10-13)18-15-8-6-14(17)7-9-15/h4-5,10-11,14-15,18H,6-9,17H2,1-3H3
InChIKeyZOOUTKWONCSURQ-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine (CID 115149697) is 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine is Cc1ccc(C(C)C)cc1NC1CCC(N)CC1.
What is the InChIKey of 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine?
The InChIKey is ZOOUTKWONCSURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11(2)13-5-4-12(3)16(10-13)18-15-8-6-14(17)7-9-15/h4-5,10-11,14-15,18H,6-9,17H2,1-3H3.
What are the key properties of 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine?
4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 115149697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).