CID 102093735

C9H13N2 — CID 102093735

IUPAC—
SMILESC[C](C)c1cc(N)cc(N)c1
InChIInChI=1S/C9H13N2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5H,10-11H2,1-2H3
InChIKeyIYOQALGUYWMBPN-UHFFFAOYSA-N
MW149.22 g/mol
LogP1.81
Rot. Bonds1

About CID 102093735

CID 102093735 (PubChem CID 102093735) has the molecular formula C9H13N2 and a molecular weight of 149.22 g/mol.

Molecular Properties

Compound NameCID 102093735
PubChem CID102093735
Molecular FormulaC9H13N2
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name—
SMILESC[C](C)c1cc(N)cc(N)c1
InChIInChI=1S/C9H13N2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5H,10-11H2,1-2H3
InChIKeyIYOQALGUYWMBPN-UHFFFAOYSA-N
XLogP1.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-diaminobenzoic acid;hydrochloride
CID 43835047
[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium
CID 7084133
3,5-diamino-N-propylbenzamide
CID 20701636
3,5-diamino-N-methyl-N-propan-2-ylbenzamide
CID 61089982
2-(2-methylprop-2-enoyloxy)ethyl 3,5-diaminobenzoate
CID 2306460
5-aminobenzene-1,3-dicarboxylic acid;zinc
CID 174938502
3,5-diaminobenzoate;triethylazanium
CID 67542244
[4-(3,5-diaminobenzoyl)piperazin-1-yl]-(3,5-diaminophenyl)methanone
CID 58291381
3-amino-1-(3,5-diaminophenyl)propan-1-one
CID 138650359
3-prop-1-enyl-5-prop-1-en-2-ylaniline
CID 123370046
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
disodium;5-aminobenzene-1,3-dicarboxylic acid;hydride
CID 173081060

Frequently Asked Questions

What is the IUPAC name of CID 102093735?
The IUPAC name of CID 102093735 (CID 102093735) is not available.
What is the SMILES notation for CID 102093735?
The canonical SMILES for CID 102093735 is C[C](C)c1cc(N)cc(N)c1.
What is the InChIKey of CID 102093735?
The InChIKey is IYOQALGUYWMBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5H,10-11H2,1-2H3.
What are the key properties of CID 102093735?
CID 102093735 has a molecular weight of 149.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102093735 is sourced from PubChem (CID 102093735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).