CID 102399590

C4H8N — CID 102399590

IUPAC—
SMILES[CH2][C@H]1N[C@H]1C
InChIInChI=1S/C4H8N/c1-3-4(2)5-3/h3-5H,1H2,2H3/t3-,4+/m1/s1
InChIKeyYBPSKJFYBATTJQ-DMTCNVIQSA-N
MW70.12 g/mol
LogP0.18
Rot. Bonds

About CID 102399590

CID 102399590 (PubChem CID 102399590) has the molecular formula C4H8N and a molecular weight of 70.12 g/mol.

Molecular Properties

Compound NameCID 102399590
PubChem CID102399590
Molecular FormulaC4H8N
Molecular Weight70.12 g/mol
Exact Mass70.07
IUPAC Name—
SMILES[CH2][C@H]1N[C@H]1C
InChIInChI=1S/C4H8N/c1-3-4(2)5-3/h3-5H,1H2,2H3/t3-,4+/m1/s1
InChIKeyYBPSKJFYBATTJQ-DMTCNVIQSA-N
XLogP0.18
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze CID 102399590 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

(2R,3S,6S)-2,3,6-trimethylpiperidine
CID 89331146
(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
CID 163883112
(2S)-2,5-dimethylpyrrolidine;ethane
CID 177006469
2,4,6-trimethyl-1,3,5-triazinane;hydrate
CID 156588362
2,6-dimethylpiperidin-3-amine;dihydrochloride
CID 174859895
(2R,3R)-3-fluoro-2-methylazetidine
CID 135396219
(3R,5R)-3,5-dimethylthiomorpholine
CID 13077511
3,5-dimethyl-1,2,4-triazolidine
CID 5231545
(3S,4R)-3-amino-4-methylazetidin-2-ol
CID 118102125
(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 102313628
1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 146155589
2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine
CID 58594538

Frequently Asked Questions

What is the IUPAC name of CID 102399590?
The IUPAC name of CID 102399590 (CID 102399590) is not available.
What is the SMILES notation for CID 102399590?
The canonical SMILES for CID 102399590 is [CH2][C@H]1N[C@H]1C.
What is the InChIKey of CID 102399590?
The InChIKey is YBPSKJFYBATTJQ-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H8N/c1-3-4(2)5-3/h3-5H,1H2,2H3/t3-,4+/m1/s1.
What are the key properties of CID 102399590?
CID 102399590 has a molecular weight of 70.12 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102399590 is sourced from PubChem (CID 102399590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).