N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine

C15H30N2 — CID 80998052

IUPACN-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC1CC(C)CN(C2CCC2CNC(C)C)C1
InChIInChI=1S/C15H30N2/c1-11(2)16-8-14-5-6-15(14)17-9-12(3)7-13(4)10-17/h11-16H,5-10H2,1-4H3
InChIKeySKQYPHOOQMMLIR-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds4

About N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 80998052) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID80998052
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC1CC(C)CN(C2CCC2CNC(C)C)C1
InChIInChI=1S/C15H30N2/c1-11(2)16-8-14-5-6-15(14)17-9-12(3)7-13(4)10-17/h11-16H,5-10H2,1-4H3
InChIKeySKQYPHOOQMMLIR-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005586
N-[[2-(2,4-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80998432
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
CID 80998125
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80999106
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine
CID 80997996
N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80999932
N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005595
N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005662
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80999851
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 82935222
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
CID 102886942
N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine
CID 104973669

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine (CID 80998052) is N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine is CC1CC(C)CN(C2CCC2CNC(C)C)C1.
What is the InChIKey of N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is SKQYPHOOQMMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-11(2)16-8-14-5-6-15(14)17-9-12(3)7-13(4)10-17/h11-16H,5-10H2,1-4H3.
What are the key properties of N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 80998052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).