N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine

C17H28N2 — CID 64749659

IUPACN'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)C1CCC(C)CC1
InChIInChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(13-5-12-18)17-7-4-3-6-15(17)2/h3-4,6-7,14,16H,5,8-13,18H2,1-2H3
InChIKeyMYCLNRYOQZZYJI-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.73
Rot. Bonds5

About N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine

N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine (PubChem CID 64749659) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine
PubChem CID64749659
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)C1CCC(C)CC1
InChIInChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(13-5-12-18)17-7-4-3-6-15(17)2/h3-4,6-7,14,16H,5,8-13,18H2,1-2H3
InChIKeyMYCLNRYOQZZYJI-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine (CID 64749659) is N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine is Cc1ccccc1N(CCCN)C1CCC(C)CC1.
What is the InChIKey of N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is MYCLNRYOQZZYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(13-5-12-18)17-7-4-3-6-15(17)2/h3-4,6-7,14,16H,5,8-13,18H2,1-2H3.
What are the key properties of N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine?
N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 64749659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).