1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine

C17H28N2 — CID 174845379

IUPAC1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine
SMILESCCC(N)C(N)C1(c2ccccc2C)CCCCC1
InChIInChI=1S/C17H28N2/c1-3-15(18)16(19)17(11-7-4-8-12-17)14-10-6-5-9-13(14)2/h5-6,9-10,15-16H,3-4,7-8,11-12,18-19H2,1-2H3
InChIKeyHHOGWIZSVDAHKQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.26
Rot. Bonds4

About 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine

1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine (PubChem CID 174845379) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine
PubChem CID174845379
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine
SMILESCCC(N)C(N)C1(c2ccccc2C)CCCCC1
InChIInChI=1S/C17H28N2/c1-3-15(18)16(19)17(11-7-4-8-12-17)14-10-6-5-9-13(14)2/h5-6,9-10,15-16H,3-4,7-8,11-12,18-19H2,1-2H3
InChIKeyHHOGWIZSVDAHKQ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine?
The IUPAC name of 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine (CID 174845379) is 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine.
What is the SMILES notation for 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine?
The canonical SMILES for 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine is CCC(N)C(N)C1(c2ccccc2C)CCCCC1.
What is the InChIKey of 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine?
The InChIKey is HHOGWIZSVDAHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15(18)16(19)17(11-7-4-8-12-17)14-10-6-5-9-13(14)2/h5-6,9-10,15-16H,3-4,7-8,11-12,18-19H2,1-2H3.
What are the key properties of 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine?
1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)cyclohexyl]butane-1,2-diamine is sourced from PubChem (CID 174845379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).