CID 59901942

C7H12N — CID 59901942

IUPAC—
SMILES[CH]C(C)C(=[CH])N(C)C
InChIInChI=1S/C7H12N/c1-6(2)7(3)8(4)5/h1,3,6H,2,4-5H3
InChIKeyXAQNHGSZVFDJAF-UHFFFAOYSA-N
MW110.18 g/mol
LogP1.21
Rot. Bonds2

About CID 59901942

CID 59901942 (PubChem CID 59901942) has the molecular formula C7H12N and a molecular weight of 110.18 g/mol.

Molecular Properties

Compound NameCID 59901942
PubChem CID59901942
Molecular FormulaC7H12N
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name—
SMILES[CH]C(C)C(=[CH])N(C)C
InChIInChI=1S/C7H12N/c1-6(2)7(3)8(4)5/h1,3,6H,2,4-5H3
InChIKeyXAQNHGSZVFDJAF-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 59901942 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 CID 59901942?
The IUPAC name of CID 59901942 (CID 59901942) is not available.
What is the SMILES notation for CID 59901942?
The canonical SMILES for CID 59901942 is [CH]C(C)C(=[CH])N(C)C.
What is the InChIKey of CID 59901942?
The InChIKey is XAQNHGSZVFDJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N/c1-6(2)7(3)8(4)5/h1,3,6H,2,4-5H3.
What are the key properties of CID 59901942?
CID 59901942 has a molecular weight of 110.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59901942 is sourced from PubChem (CID 59901942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).