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

C13H28N2 — CID 17159646

IUPACN-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCC1CCCCC1
InChIInChI=1S/C13H28N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h13-14H,3-12H2,1-2H3
InChIKeyXRZYZFNPFFTJKR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds7

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

N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 17159646) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine
PubChem CID17159646
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCC1CCCCC1
InChIInChI=1S/C13H28N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h13-14H,3-12H2,1-2H3
InChIKeyXRZYZFNPFFTJKR-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
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

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
(2-Cyclohexylethyl)(methyl)amine
CID 43930
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
1,3-Propanediamine, N1-(2-ethylhexyl)-
CID 114486
1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
(Cyclohexylmethyl)(methyl)amine
CID 117276
1-(Aminomethyl)-N,N-dimethylcyclohexan-1-amine
CID 2113403
1-(Cyclohexylmethyl)piperazine
CID 2735885
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
(2-Amino-1-cyclohexylethyl)dimethylamine
CID 16228005
Dimethyl(2-(piperidin-3-yl)ethyl)amine
CID 21186415

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine (CID 17159646) is N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is XRZYZFNPFFTJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine?
N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 17159646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).