CID 175798397

C9H13NNa — CID 175798397

IUPAC—
SMILESCCNc1ccccc1C.[Na]
InChIInChI=1S/C9H13N.Na/c1-3-10-9-7-5-4-6-8(9)2;/h4-7,10H,3H2,1-2H3;
InChIKeyFTSNPZFZEZXCFO-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.05
Rot. Bonds2

About CID 175798397

CID 175798397 (PubChem CID 175798397) has the molecular formula C9H13NNa and a molecular weight of 158.20 g/mol.

Molecular Properties

Compound NameCID 175798397
PubChem CID175798397
Molecular FormulaC9H13NNa
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name—
SMILESCCNc1ccccc1C.[Na]
InChIInChI=1S/C9H13N.Na/c1-3-10-9-7-5-4-6-8(9)2;/h4-7,10H,3H2,1-2H3;
InChIKeyFTSNPZFZEZXCFO-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 175798397 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

1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
N-(2-ethylbutyl)-2-methylaniline
CID 29290197
2-(2-methylanilino)acetonitrile
CID 28018
1-N-(2-methylphenyl)butane-1,2-diamine
CID 19374458
N'-(2-methylphenyl)-N-phenylmethanediamine
CID 14173164
2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine
CID 174672832
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
2-[(2-methylanilino)methyl]phenol
CID 3240149
3-(2-methylanilino)propan-1-ol
CID 18005925
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
CID 174482697
N,2-dimethylaniline
CID 163768915

Frequently Asked Questions

What is the IUPAC name of CID 175798397?
The IUPAC name of CID 175798397 (CID 175798397) is not available.
What is the SMILES notation for CID 175798397?
The canonical SMILES for CID 175798397 is CCNc1ccccc1C.[Na].
What is the InChIKey of CID 175798397?
The InChIKey is FTSNPZFZEZXCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.Na/c1-3-10-9-7-5-4-6-8(9)2;/h4-7,10H,3H2,1-2H3;.
What are the key properties of CID 175798397?
CID 175798397 has a molecular weight of 158.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175798397 is sourced from PubChem (CID 175798397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).