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

C15H29N3 — CID 80998463

IUPACN-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2CCC2CNC2CC2)C1
InChIInChI=1S/C15H29N3/c1-17-9-3-4-14(11-17)18(2)15-8-5-12(15)10-16-13-6-7-13/h12-16H,3-11H2,1-2H3
InChIKeyZMSGDWPKRAKOSY-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds5

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

N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 80998463) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine
PubChem CID80998463
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2CCC2CNC2CC2)C1
InChIInChI=1S/C15H29N3/c1-17-9-3-4-14(11-17)18(2)15-8-5-12(15)10-16-13-6-7-13/h12-16H,3-11H2,1-2H3
InChIKeyZMSGDWPKRAKOSY-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine (CID 80998463) is N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)C2CCC2CNC2CC2)C1.
What is the InChIKey of N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is ZMSGDWPKRAKOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-17-9-3-4-14(11-17)18(2)15-8-5-12(15)10-16-13-6-7-13/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine?
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 80998463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).