N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine

C9H17N3 — CID 83014176

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine
SMILESC1CCN(NC2=NCCC2)CC1
InChIInChI=1S/C9H17N3/c1-2-7-12(8-3-1)11-9-5-4-6-10-9/h1-8H2,(H,10,11)
InChIKeyPCRVQZHIVTYBEK-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.17
Rot. Bonds1

About N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine

N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine (PubChem CID 83014176) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine
PubChem CID83014176
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine
SMILESC1CCN(NC2=NCCC2)CC1
InChIInChI=1S/C9H17N3/c1-2-7-12(8-3-1)11-9-5-4-6-10-9/h1-8H2,(H,10,11)
InChIKeyPCRVQZHIVTYBEK-UHFFFAOYSA-N
XLogP1.17
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine 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 N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine (CID 83014176) is N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine is C1CCN(NC2=NCCC2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine?
The InChIKey is PCRVQZHIVTYBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-7-12(8-3-1)11-9-5-4-6-10-9/h1-8H2,(H,10,11).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine?
N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-1-amine is sourced from PubChem (CID 83014176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).