N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine

C11H20N2 — CID 114412969

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CC=CCC1
InChIInChI=1S/C11H20N2/c1-10(9-12-11-5-6-11)13-7-3-2-4-8-13/h2-3,10-12H,4-9H2,1H3
InChIKeyXZGYJJUYQDKXIG-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.39
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine

N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine (PubChem CID 114412969) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
PubChem CID114412969
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CC=CCC1
InChIInChI=1S/C11H20N2/c1-10(9-12-11-5-6-11)13-7-3-2-4-8-13/h2-3,10-12H,4-9H2,1H3
InChIKeyXZGYJJUYQDKXIG-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-[2-(4-propan-2-ylpiperidin-1-yl)propyl]cyclopropanamine
CID 103503204
N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 55072104
N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
CID 62411356
N-[2-(4-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 62413434
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine
CID 114540357
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467
1-(1-bromoethyl)-3,6-dihydro-2H-pyridine
CID 174278669
N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167834

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine (CID 114412969) is N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine is CC(CNC1CC1)N1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
The InChIKey is XZGYJJUYQDKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(9-12-11-5-6-11)13-7-3-2-4-8-13/h2-3,10-12H,4-9H2,1H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine?
N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine has a molecular weight of 180.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 114412969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).