1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine

C13H27N3 — CID 115449099

IUPAC1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(CC2(CN)CCC2)C1
InChIInChI=1S/C13H27N3/c1-15(2)12-5-3-8-16(9-12)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3
InChIKeyHLZFKARFGIZGPY-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds4

About 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine

1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 115449099) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID115449099
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(CC2(CN)CCC2)C1
InChIInChI=1S/C13H27N3/c1-15(2)12-5-3-8-16(9-12)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3
InChIKeyHLZFKARFGIZGPY-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
1-[[3-(dimethylamino)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63950406
N,N-dimethyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine
CID 55159336
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclopropyl]methanamine
CID 115453849
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65498094
[1-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448882
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine (CID 115449099) is 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(CC2(CN)CCC2)C1.
What is the InChIKey of 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is HLZFKARFGIZGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15(2)12-5-3-8-16(9-12)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine?
1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 115449099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).