1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride

C9H20Cl2N2 — CID 47000779

IUPAC1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(CN2CCCCC2)CC1
InChIInChI=1S/C9H18N2.2ClH/c10-9(4-5-9)8-11-6-2-1-3-7-11;;/h1-8,10H2;2*1H
InChIKeySENSNWVWDFJLBH-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.81
Rot. Bonds2

About 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride

1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride (PubChem CID 47000779) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride
PubChem CID47000779
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(CN2CCCCC2)CC1
InChIInChI=1S/C9H18N2.2ClH/c10-9(4-5-9)8-11-6-2-1-3-7-11;;/h1-8,10H2;2*1H
InChIKeySENSNWVWDFJLBH-UHFFFAOYSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride (CID 47000779) is 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride is Cl.Cl.NC1(CN2CCCCC2)CC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is SENSNWVWDFJLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c10-9(4-5-9)8-11-6-2-1-3-7-11;;/h1-8,10H2;2*1H.
What are the key properties of 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride?
1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 47000779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).