4-(1-aminohexan-2-ylamino)benzamide

C13H21N3O — CID 80698151

IUPAC4-(1-aminohexan-2-ylamino)benzamide
SMILESCCCCC(CN)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H21N3O/c1-2-3-4-12(9-14)16-11-7-5-10(6-8-11)13(15)17/h5-8,12,16H,2-4,9,14H2,1H3,(H2,15,17)
InChIKeyKQVWZVIGYOWORA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds7

About 4-(1-aminohexan-2-ylamino)benzamide

4-(1-aminohexan-2-ylamino)benzamide (PubChem CID 80698151) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(1-aminohexan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-(1-aminohexan-2-ylamino)benzamide
PubChem CID80698151
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(1-aminohexan-2-ylamino)benzamide
SMILESCCCCC(CN)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H21N3O/c1-2-3-4-12(9-14)16-11-7-5-10(6-8-11)13(15)17/h5-8,12,16H,2-4,9,14H2,1H3,(H2,15,17)
InChIKeyKQVWZVIGYOWORA-UHFFFAOYSA-N
XLogP1.71
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hexan-2-ylamino)benzamide
CID 43760421
4-(pentan-2-ylamino)benzamide
CID 43193030
4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide
CID 80698083
4-(octan-4-ylamino)benzenecarbothioamide
CID 114138123
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
2-N-(4-fluorophenyl)nonane-1,2-diamine
CID 65378747
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694
N-(1-aminohexan-2-yl)-4-[(carbamoylamino)methyl]benzamide
CID 119665299
6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide
CID 80697257
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
ethyl 4-(hexadecan-3-ylamino)benzoate
CID 23457806
4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
CID 63944752

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminohexan-2-ylamino)benzamide?
The IUPAC name of 4-(1-aminohexan-2-ylamino)benzamide (CID 80698151) is 4-(1-aminohexan-2-ylamino)benzamide.
What is the SMILES notation for 4-(1-aminohexan-2-ylamino)benzamide?
The canonical SMILES for 4-(1-aminohexan-2-ylamino)benzamide is CCCCC(CN)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(1-aminohexan-2-ylamino)benzamide?
The InChIKey is KQVWZVIGYOWORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-4-12(9-14)16-11-7-5-10(6-8-11)13(15)17/h5-8,12,16H,2-4,9,14H2,1H3,(H2,15,17).
What are the key properties of 4-(1-aminohexan-2-ylamino)benzamide?
4-(1-aminohexan-2-ylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminohexan-2-ylamino)benzamide is sourced from PubChem (CID 80698151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).