1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine

C12H26N2 — CID 115200914

IUPAC1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine
SMILESCN(CCC1CCC1)CCC(C)(C)N
InChIInChI=1S/C12H26N2/c1-12(2,13)8-10-14(3)9-7-11-5-4-6-11/h11H,4-10,13H2,1-3H3
InChIKeyLLVYWSWBLMRPJY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

About 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine

1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine (PubChem CID 115200914) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine
PubChem CID115200914
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine
SMILESCN(CCC1CCC1)CCC(C)(C)N
InChIInChI=1S/C12H26N2/c1-12(2,13)8-10-14(3)9-7-11-5-4-6-11/h11H,4-10,13H2,1-3H3
InChIKeyLLVYWSWBLMRPJY-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
N-(chloromethyl)-2-cyclobutyl-N-methylethanamine
CID 115263599
3-[2-cyclobutylethyl(methyl)amino]propanenitrile
CID 115231300
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115136320
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutan-1-ol
CID 64787239
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
CID 62861052
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
CID 111113332
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine (CID 115200914) is 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine is CN(CCC1CCC1)CCC(C)(C)N.
What is the InChIKey of 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine?
The InChIKey is LLVYWSWBLMRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,13)8-10-14(3)9-7-11-5-4-6-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine?
1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115200914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).