CID 58427153

C6H9N2 — CID 58427153

IUPAC—
SMILESC[C@@H]([NH])C1=NC=CC1
InChIInChI=1S/C6H9N2/c1-5(7)6-3-2-4-8-6/h2,4-5,7H,3H2,1H3/t5-/m1/s1
InChIKeyFFAMJJXGULALEB-RXMQYKEDSA-N
MW109.15 g/mol
LogP1.02
Rot. Bonds1

About CID 58427153

CID 58427153 (PubChem CID 58427153) has the molecular formula C6H9N2 and a molecular weight of 109.15 g/mol.

Molecular Properties

Compound NameCID 58427153
PubChem CID58427153
Molecular FormulaC6H9N2
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name—
SMILESC[C@@H]([NH])C1=NC=CC1
InChIInChI=1S/C6H9N2/c1-5(7)6-3-2-4-8-6/h2,4-5,7H,3H2,1H3/t5-/m1/s1
InChIKeyFFAMJJXGULALEB-RXMQYKEDSA-N
XLogP1.02
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 58427153 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-methyl-1-(3H-pyrrol-2-yl)methanamine
CID 58168955
3H-pyrrol-2-ylmethanamine
CID 58305156
3-(3H-pyrrol-2-yl)propan-1-amine
CID 58381456
CID 58427161
CID 58427161
(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427185
(1R)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427201
2-methyl-3H-pyrrol-3-amine
CID 67580042
4-(3H-pyrrol-2-yl)butan-1-amine
CID 68451847
2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
CID 70629717
(Z)-3-ethenyliminopent-1-ene-1,5-diamine
CID 89018201
4-[(Z)-prop-1-enyl]iminopentan-2-amine
CID 90051371
2-(3,4-Dihydropyridin-2-yl)ethanamine
CID 118085069

Frequently Asked Questions

What is the IUPAC name of CID 58427153?
The IUPAC name of CID 58427153 (CID 58427153) is not available.
What is the SMILES notation for CID 58427153?
The canonical SMILES for CID 58427153 is C[C@@H]([NH])C1=NC=CC1.
What is the InChIKey of CID 58427153?
The InChIKey is FFAMJJXGULALEB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N2/c1-5(7)6-3-2-4-8-6/h2,4-5,7H,3H2,1H3/t5-/m1/s1.
What are the key properties of CID 58427153?
CID 58427153 has a molecular weight of 109.15 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58427153 is sourced from PubChem (CID 58427153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).