N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine

C17H28N2 — CID 55197401

IUPACN-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(C)CCNCC2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-15-8-10-17(11-9-15)19(2)13-12-18-14-16-6-4-3-5-7-16/h8-11,16,18H,3-7,12-14H2,1-2H3
InChIKeyXOUMARYUVXTAJS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds6

About N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine

N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 55197401) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID55197401
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(C)CCNCC2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-15-8-10-17(11-9-15)19(2)13-12-18-14-16-6-4-3-5-7-16/h8-11,16,18H,3-7,12-14H2,1-2H3
InChIKeyXOUMARYUVXTAJS-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62554245
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62555727
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
N'-(4-ethylphenyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62553806
N-(cyclopentylmethyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 62575926
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
CID 64585447

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine (CID 55197401) is N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(N(C)CCNCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is XOUMARYUVXTAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-8-10-17(11-9-15)19(2)13-12-18-14-16-6-4-3-5-7-16/h8-11,16,18H,3-7,12-14H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55197401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).