2-amino-N-(1-aminohexan-2-yl)benzamide

C13H21N3O — CID 122080973

IUPAC2-amino-N-(1-aminohexan-2-yl)benzamide
SMILESCCCCC(CN)NC(=O)c1ccccc1N
InChIInChI=1S/C13H21N3O/c1-2-3-6-10(9-14)16-13(17)11-7-4-5-8-12(11)15/h4-5,7-8,10H,2-3,6,9,14-15H2,1H3,(H,16,17)
InChIKeyGXBFENLUPWKKNQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.52
Rot. Bonds6

About 2-amino-N-(1-aminohexan-2-yl)benzamide

2-amino-N-(1-aminohexan-2-yl)benzamide (PubChem CID 122080973) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-(1-aminohexan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1-aminohexan-2-yl)benzamide
PubChem CID122080973
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N-(1-aminohexan-2-yl)benzamide
SMILESCCCCC(CN)NC(=O)c1ccccc1N
InChIInChI=1S/C13H21N3O/c1-2-3-6-10(9-14)16-13(17)11-7-4-5-8-12(11)15/h4-5,7-8,10H,2-3,6,9,14-15H2,1H3,(H,16,17)
InChIKeyGXBFENLUPWKKNQ-UHFFFAOYSA-N
XLogP1.52
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
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CID 119667537
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
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CID 81112560
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
N-(1-aminohexan-2-yl)-3-methyl-2-nitrobenzamide
CID 80696935
N-(1-aminopentan-2-yl)naphthalene-1-carboxamide
CID 65191426
N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956167
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
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CID 102978718

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-aminohexan-2-yl)benzamide?
The IUPAC name of 2-amino-N-(1-aminohexan-2-yl)benzamide (CID 122080973) is 2-amino-N-(1-aminohexan-2-yl)benzamide.
What is the SMILES notation for 2-amino-N-(1-aminohexan-2-yl)benzamide?
The canonical SMILES for 2-amino-N-(1-aminohexan-2-yl)benzamide is CCCCC(CN)NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(1-aminohexan-2-yl)benzamide?
The InChIKey is GXBFENLUPWKKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-6-10(9-14)16-13(17)11-7-4-5-8-12(11)15/h4-5,7-8,10H,2-3,6,9,14-15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(1-aminohexan-2-yl)benzamide?
2-amino-N-(1-aminohexan-2-yl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-aminohexan-2-yl)benzamide is sourced from PubChem (CID 122080973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).