N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine

C17H28N2 — CID 55087484

IUPACN-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCc1ccc(N(C)CCCNC2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-15-9-11-17(12-10-15)19(2)14-6-13-18-16-7-4-3-5-8-16/h9-12,16,18H,3-8,13-14H2,1-2H3
InChIKeyCMHIWEKHDYERQY-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.74
Rot. Bonds6

About N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine

N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine (PubChem CID 55087484) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
PubChem CID55087484
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCc1ccc(N(C)CCCNC2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-15-9-11-17(12-10-15)19(2)14-6-13-18-16-7-4-3-5-8-16/h9-12,16,18H,3-8,13-14H2,1-2H3
InChIKeyCMHIWEKHDYERQY-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 55087778
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 63504270
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 55197401
N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62555727
N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 55071126
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
N'-methyl-N-(1-oxothian-4-yl)-N'-phenylpropane-1,3-diamine
CID 54981703
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
CID 115215489

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine (CID 55087484) is N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine is Cc1ccc(N(C)CCCNC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is CMHIWEKHDYERQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-9-11-17(12-10-15)19(2)14-6-13-18-16-7-4-3-5-8-16/h9-12,16,18H,3-8,13-14H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine?
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 55087484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).