N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine

C17H28N2 — CID 62558621

IUPACN-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1ccccc1)CC1CCCCC1
InChIInChI=1S/C17H28N2/c1-19(15-17-10-6-3-7-11-17)13-12-18-14-16-8-4-2-5-9-16/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3
InChIKeyMAGKRLHDSRKAKT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.29
Rot. Bonds7

About N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine

N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62558621) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62558621
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1ccccc1)CC1CCCCC1
InChIInChI=1S/C17H28N2/c1-19(15-17-10-6-3-7-11-17)13-12-18-14-16-8-4-2-5-9-16/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3
InChIKeyMAGKRLHDSRKAKT-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine (CID 62558621) is N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCc1ccccc1)CC1CCCCC1.
What is the InChIKey of N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is MAGKRLHDSRKAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-19(15-17-10-6-3-7-11-17)13-12-18-14-16-8-4-2-5-9-16/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3.
What are the key properties of N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62558621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).