1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine

C11H22N2 — CID 65457048

IUPAC1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine
SMILESCC1CCCN(CC2(N)CC2)C1C
InChIInChI=1S/C11H22N2/c1-9-4-3-7-13(10(9)2)8-11(12)5-6-11/h9-10H,3-8,12H2,1-2H3
InChIKeyKRUKLFJQPPDQTE-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds2

About 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine

1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine (PubChem CID 65457048) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine
PubChem CID65457048
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine
SMILESCC1CCCN(CC2(N)CC2)C1C
InChIInChI=1S/C11H22N2/c1-9-4-3-7-13(10(9)2)8-11(12)5-6-11/h9-10H,3-8,12H2,1-2H3
InChIKeyKRUKLFJQPPDQTE-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine (CID 65457048) is 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine is CC1CCCN(CC2(N)CC2)C1C.
What is the InChIKey of 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine?
The InChIKey is KRUKLFJQPPDQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-4-3-7-13(10(9)2)8-11(12)5-6-11/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine?
1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 65457048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).