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

C18H30N2 — CID 63503034

IUPACN'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCNCC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-2-20(16-18-11-7-4-8-12-18)14-13-19-15-17-9-5-3-6-10-17/h4,7-8,11-12,17,19H,2-3,5-6,9-10,13-16H2,1H3
InChIKeyMMDLWOIYXDMWSW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.68
Rot. Bonds8

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

N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine (PubChem CID 63503034) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
PubChem CID63503034
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCNCC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-2-20(16-18-11-7-4-8-12-18)14-13-19-15-17-9-5-3-6-10-17/h4,7-8,11-12,17,19H,2-3,5-6,9-10,13-16H2,1H3
InChIKeyMMDLWOIYXDMWSW-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.68
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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Related Compounds

N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62556677
N-(cyclopentylmethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556471
N-(cyclopentylmethyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 62575926
N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
CID 62070861
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
CID 64585447
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62419666
2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577
N'-(cyclohexylmethyl)-N'-ethyl-N-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584861

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine (CID 63503034) is N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine is CCN(CCNCC1CCCCC1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine?
The InChIKey is MMDLWOIYXDMWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-20(16-18-11-7-4-8-12-18)14-13-19-15-17-9-5-3-6-10-17/h4,7-8,11-12,17,19H,2-3,5-6,9-10,13-16H2,1H3.
What are the key properties of N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine?
N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.68, 8 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'-ethylethane-1,2-diamine is sourced from PubChem (CID 63503034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).