2-aminobenzamide;pentan-1-amine

C12H21N3O — CID 174724084

IUPAC2-aminobenzamide;pentan-1-amine
SMILESCCCCCN.NC(=O)c1ccccc1N
InChIInChI=1S/C7H8N2O.C5H13N/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6/h1-4H,8H2,(H2,9,10);2-6H2,1H3
InChIKeyCRIRCQJSSUBTTO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds4

About 2-aminobenzamide;pentan-1-amine

2-aminobenzamide;pentan-1-amine (PubChem CID 174724084) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-aminobenzamide;pentan-1-amine.

Molecular Properties

Compound Name2-aminobenzamide;pentan-1-amine
PubChem CID174724084
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-aminobenzamide;pentan-1-amine
SMILESCCCCCN.NC(=O)c1ccccc1N
InChIInChI=1S/C7H8N2O.C5H13N/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6/h1-4H,8H2,(H2,9,10);2-6H2,1H3
InChIKeyCRIRCQJSSUBTTO-UHFFFAOYSA-N
XLogP1.50
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diamine;decan-1-amine
CID 174921659
bis(2-aminobenzamide);platinum(2+)
CID 50912239
ethane;hexane;2-hydroxybenzamide
CID 143703157
1-(2-aminophenyl)octan-1-one
CID 64829239
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
dodecyl 2-aminobenzoate
CID 5095316
3-amino-2-nonoxybenzamide
CID 107873437
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
2-octylbenzamide
CID 11148995
2-amino-N-dodecylbenzamide
CID 54099396
2-butylbenzamide
CID 15468173
hexanoyl 2-aminobenzoate
CID 87304192

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;pentan-1-amine?
The IUPAC name of 2-aminobenzamide;pentan-1-amine (CID 174724084) is 2-aminobenzamide;pentan-1-amine.
What is the SMILES notation for 2-aminobenzamide;pentan-1-amine?
The canonical SMILES for 2-aminobenzamide;pentan-1-amine is CCCCCN.NC(=O)c1ccccc1N.
What is the InChIKey of 2-aminobenzamide;pentan-1-amine?
The InChIKey is CRIRCQJSSUBTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C5H13N/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6/h1-4H,8H2,(H2,9,10);2-6H2,1H3.
What are the key properties of 2-aminobenzamide;pentan-1-amine?
2-aminobenzamide;pentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzamide;pentan-1-amine is sourced from PubChem (CID 174724084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).