4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide

C17H30N4O — CID 70515334

IUPAC4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide
SMILESCCN(CC)C(CCCCN)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H30N4O/c1-3-21(4-2)16(7-5-6-12-18)13-20-17(22)14-8-10-15(19)11-9-14/h8-11,16H,3-7,12-13,18-19H2,1-2H3,(H,20,22)
InChIKeyUFWOQWZEUUZOEN-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.84
Rot. Bonds10

About 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide

4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide (PubChem CID 70515334) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide
PubChem CID70515334
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide
SMILESCCN(CC)C(CCCCN)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H30N4O/c1-3-21(4-2)16(7-5-6-12-18)13-20-17(22)14-8-10-15(19)11-9-14/h8-11,16H,3-7,12-13,18-19H2,1-2H3,(H,20,22)
InChIKeyUFWOQWZEUUZOEN-UHFFFAOYSA-N
XLogP1.84
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-amino-N-(2-methylbutyl)benzamide
CID 22242294
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
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CID 61276034
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
4-amino-N-(2-oxoethyl)benzamide
CID 54395026
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
2,2-bis(diethylamino)ethyl 4-aminobenzoate
CID 175218250
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CID 70375568

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide?
The IUPAC name of 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide (CID 70515334) is 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide.
What is the SMILES notation for 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide?
The canonical SMILES for 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide is CCN(CC)C(CCCCN)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide?
The InChIKey is UFWOQWZEUUZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-21(4-2)16(7-5-6-12-18)13-20-17(22)14-8-10-15(19)11-9-14/h8-11,16H,3-7,12-13,18-19H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide?
4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide has a molecular weight of 306.45 g/mol, XLogP of 1.84, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-amino-2-(diethylamino)hexyl]benzamide is sourced from PubChem (CID 70515334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).