N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine

C15H32N2 — CID 2058149

IUPACN'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CC1CCCCC1
InChIInChI=1S/C15H32N2/c1-4-16(5-2)12-13-17(6-3)14-15-10-8-7-9-11-15/h15H,4-14H2,1-3H3
InChIKeyAQSMSJPJWFAOAW-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.23
Rot. Bonds8

About N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine

N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine (PubChem CID 2058149) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
PubChem CID2058149
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CC1CCCCC1
InChIInChI=1S/C15H32N2/c1-4-16(5-2)12-13-17(6-3)14-15-10-8-7-9-11-15/h15H,4-14H2,1-3H3
InChIKeyAQSMSJPJWFAOAW-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910420
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827164
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
CID 173347428
2-[cyclobutylmethyl(ethyl)amino]-1-cyclohexylethanol
CID 107400916
N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2055566
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
CID 107399300

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine (CID 2058149) is N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine is CCN(CC)CCN(CC)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine?
The InChIKey is AQSMSJPJWFAOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-16(5-2)12-13-17(6-3)14-15-10-8-7-9-11-15/h15H,4-14H2,1-3H3.
What are the key properties of N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine?
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine is sourced from PubChem (CID 2058149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).