1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine

C13H28N2 — CID 107397983

IUPAC1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
SMILESCCNC(CC)CN(CC)CC1CCC1
InChIInChI=1S/C13H28N2/c1-4-13(14-5-2)11-15(6-3)10-12-8-7-9-12/h12-14H,4-11H2,1-3H3
InChIKeyXPMIAOAPWJWJKD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds8

About 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine

1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine (PubChem CID 107397983) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
PubChem CID107397983
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
SMILESCCNC(CC)CN(CC)CC1CCC1
InChIInChI=1S/C13H28N2/c1-4-13(14-5-2)11-15(6-3)10-12-8-7-9-12/h12-14H,4-11H2,1-3H3
InChIKeyXPMIAOAPWJWJKD-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 63954939
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
CID 107401021
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 107400773
2-[cyclobutylmethyl(ethyl)amino]-1-cyclohexylethanol
CID 107400916
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
CID 102992396
3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464
3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine
CID 107398113
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine?
The IUPAC name of 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine (CID 107397983) is 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine is CCNC(CC)CN(CC)CC1CCC1.
What is the InChIKey of 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine?
The InChIKey is XPMIAOAPWJWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-13(14-5-2)11-15(6-3)10-12-8-7-9-12/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine?
1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine is sourced from PubChem (CID 107397983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).