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

C15H30N2 — CID 80996996

IUPACN-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCCC(C)C1C
InChIInChI=1S/C15H30N2/c1-4-9-16-11-14-7-8-15(14)17-10-5-6-12(2)13(17)3/h12-16H,4-11H2,1-3H3
InChIKeyACEBVRSSRYMTGG-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds5

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

N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 80996996) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID80996996
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCCC(C)C1C
InChIInChI=1S/C15H30N2/c1-4-9-16-11-14-7-8-15(14)17-10-5-6-12(2)13(17)3/h12-16H,4-11H2,1-3H3
InChIKeyACEBVRSSRYMTGG-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine (CID 80996996) is N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1N1CCCC(C)C1C.
What is the InChIKey of N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is ACEBVRSSRYMTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-9-16-11-14-7-8-15(14)17-10-5-6-12(2)13(17)3/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 80996996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).