N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine

C13H26N2 — CID 62262081

IUPACN-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
SMILESCC(C)(CNC1CC1)CN1CCCCC1
InChIInChI=1S/C13H26N2/c1-13(2,10-14-12-6-7-12)11-15-8-4-3-5-9-15/h12,14H,3-11H2,1-2H3
InChIKeyQKWRKWWNDGPYFS-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds5

About N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine

N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine (PubChem CID 62262081) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
PubChem CID62262081
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
SMILESCC(C)(CNC1CC1)CN1CCCCC1
InChIInChI=1S/C13H26N2/c1-13(2,10-14-12-6-7-12)11-15-8-4-3-5-9-15/h12,14H,3-11H2,1-2H3
InChIKeyQKWRKWWNDGPYFS-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
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-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine?
The IUPAC name of N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine (CID 62262081) is N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine?
The canonical SMILES for N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine is CC(C)(CNC1CC1)CN1CCCCC1.
What is the InChIKey of N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine?
The InChIKey is QKWRKWWNDGPYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,10-14-12-6-7-12)11-15-8-4-3-5-9-15/h12,14H,3-11H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine?
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine is sourced from PubChem (CID 62262081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).