(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine

C13H18N4 — CID 81404141

IUPAC(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(N[C@H](C)c1cccnc1)c1nccn1C
InChIInChI=1S/C13H18N4/c1-10(12-5-4-6-14-9-12)16-11(2)13-15-7-8-17(13)3/h4-11,16H,1-3H3/t10-,11?/m1/s1
InChIKeyQIAQACHFVCNQMX-NFJWQWPMSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds4

About (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine

(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 81404141) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID81404141
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(N[C@H](C)c1cccnc1)c1nccn1C
InChIInChI=1S/C13H18N4/c1-10(12-5-4-6-14-9-12)16-11(2)13-15-7-8-17(13)3/h4-11,16H,1-3H3/t10-,11?/m1/s1
InChIKeyQIAQACHFVCNQMX-NFJWQWPMSA-N
XLogP2.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine 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 (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine (CID 81404141) is (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine is CC(N[C@H](C)c1cccnc1)c1nccn1C.
What is the InChIKey of (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is QIAQACHFVCNQMX-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(12-5-4-6-14-9-12)16-11(2)13-15-7-8-17(13)3/h4-11,16H,1-3H3/t10-,11?/m1/s1.
What are the key properties of (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine?
(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81404141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).