1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine

C12H25N3 — CID 80999986

IUPAC1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2CCC2CN)CC1
InChIInChI=1S/C12H25N3/c1-14(2)11-5-7-15(8-6-11)12-4-3-10(12)9-13/h10-12H,3-9,13H2,1-2H3
InChIKeyVNKJDEJTRILROG-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds3

About 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine

1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 80999986) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine
PubChem CID80999986
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2CCC2CN)CC1
InChIInChI=1S/C12H25N3/c1-14(2)11-5-7-15(8-6-11)12-4-3-10(12)9-13/h10-12H,3-9,13H2,1-2H3
InChIKeyVNKJDEJTRILROG-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166414
[2-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 103503245
(2-morpholin-4-ylcyclobutyl)methanamine
CID 80998654
[2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine
CID 81004973
[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine
CID 81005227
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363
trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol
CID 131701466
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
[2-(3-methoxypyrrolidin-1-yl)cyclobutyl]methanamine
CID 103539662
1-(2-amino-5-ethylcyclohexyl)-N,N-dimethylpiperidin-4-amine
CID 43585938
1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine
CID 55108617
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine (CID 80999986) is 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2CCC2CN)CC1.
What is the InChIKey of 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is VNKJDEJTRILROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14(2)11-5-7-15(8-6-11)12-4-3-10(12)9-13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine?
1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 80999986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).