N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine

C11H15N3 — CID 79508326

IUPACN-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc(CCNC2=NCCC2)nc1
InChIInChI=1S/C11H15N3/c1-2-7-12-10(4-1)6-9-14-11-5-3-8-13-11/h1-2,4,7H,3,5-6,8-9H2,(H,13,14)
InChIKeyZHVQHSYJCMPKHM-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.41
Rot. Bonds3

About N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79508326) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79508326
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc(CCNC2=NCCC2)nc1
InChIInChI=1S/C11H15N3/c1-2-7-12-10(4-1)6-9-14-11-5-3-8-13-11/h1-2,4,7H,3,5-6,8-9H2,(H,13,14)
InChIKeyZHVQHSYJCMPKHM-UHFFFAOYSA-N
XLogP1.41
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine 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-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422349
N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79508874
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
N-[2-(2-fluorophenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508216
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
N-(2-pyridin-2-ylethyl)pyrazin-2-amine
CID 28544593
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
CID 67101566
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 79508326) is N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine is c1ccc(CCNC2=NCCC2)nc1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is ZHVQHSYJCMPKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-7-12-10(4-1)6-9-14-11-5-3-8-13-11/h1-2,4,7H,3,5-6,8-9H2,(H,13,14).
What are the key properties of N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79508326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).