N,N-bis(6-aminohexyl)benzamide

C19H33N3O — CID 68737596

IUPACN,N-bis(6-aminohexyl)benzamide
SMILESNCCCCCCN(CCCCCCN)C(=O)c1ccccc1
InChIInChI=1S/C19H33N3O/c20-14-8-1-3-10-16-22(17-11-4-2-9-15-21)19(23)18-12-6-5-7-13-18/h5-7,12-13H,1-4,8-11,14-17,20-21H2
InChIKeyYRZYWJWMIVGYFV-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.17
Rot. Bonds13

About N,N-bis(6-aminohexyl)benzamide

N,N-bis(6-aminohexyl)benzamide (PubChem CID 68737596) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is N,N-bis(6-aminohexyl)benzamide.

Molecular Properties

Compound NameN,N-bis(6-aminohexyl)benzamide
PubChem CID68737596
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN,N-bis(6-aminohexyl)benzamide
SMILESNCCCCCCN(CCCCCCN)C(=O)c1ccccc1
InChIInChI=1S/C19H33N3O/c20-14-8-1-3-10-16-22(17-11-4-2-9-15-21)19(23)18-12-6-5-7-13-18/h5-7,12-13H,1-4,8-11,14-17,20-21H2
InChIKeyYRZYWJWMIVGYFV-UHFFFAOYSA-N
XLogP3.17
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide
CID 162862869
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23877767
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040

Frequently Asked Questions

What is the IUPAC name of N,N-bis(6-aminohexyl)benzamide?
The IUPAC name of N,N-bis(6-aminohexyl)benzamide (CID 68737596) is N,N-bis(6-aminohexyl)benzamide.
What is the SMILES notation for N,N-bis(6-aminohexyl)benzamide?
The canonical SMILES for N,N-bis(6-aminohexyl)benzamide is NCCCCCCN(CCCCCCN)C(=O)c1ccccc1.
What is the InChIKey of N,N-bis(6-aminohexyl)benzamide?
The InChIKey is YRZYWJWMIVGYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c20-14-8-1-3-10-16-22(17-11-4-2-9-15-21)19(23)18-12-6-5-7-13-18/h5-7,12-13H,1-4,8-11,14-17,20-21H2.
What are the key properties of N,N-bis(6-aminohexyl)benzamide?
N,N-bis(6-aminohexyl)benzamide has a molecular weight of 319.49 g/mol, XLogP of 3.17, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(6-aminohexyl)benzamide is sourced from PubChem (CID 68737596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).