N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine

C14H26N2 — CID 80999601

IUPACN-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCC1CCN(C2CCC2CNC2CC2)CC1
InChIInChI=1S/C14H26N2/c1-11-6-8-16(9-7-11)14-5-2-12(14)10-15-13-3-4-13/h11-15H,2-10H2,1H3
InChIKeyWINPBXVLTFHYML-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

About N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 80999601) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID80999601
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCC1CCN(C2CCC2CNC2CC2)CC1
InChIInChI=1S/C14H26N2/c1-11-6-8-16(9-7-11)14-5-2-12(14)10-15-13-3-4-13/h11-15H,2-10H2,1H3
InChIKeyWINPBXVLTFHYML-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine (CID 80999601) is N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine is CC1CCN(C2CCC2CNC2CC2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is WINPBXVLTFHYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-6-8-16(9-7-11)14-5-2-12(14)10-15-13-3-4-13/h11-15H,2-10H2,1H3.
What are the key properties of N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 80999601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).