4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide

C16H25N3O — CID 79115625

IUPAC4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)C1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-2-19(15-9-7-14(17)8-10-15)11-12-3-5-13(6-4-12)16(18)20/h3-6,14-15H,2,7-11,17H2,1H3,(H2,18,20)
InChIKeyUPFHEGUIUMVPAG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.88
Rot. Bonds5

About 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide

4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide (PubChem CID 79115625) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
PubChem CID79115625
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)C1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-2-19(15-9-7-14(17)8-10-15)11-12-3-5-13(6-4-12)16(18)20/h3-6,14-15H,2,7-11,17H2,1H3,(H2,18,20)
InChIKeyUPFHEGUIUMVPAG-UHFFFAOYSA-N
XLogP1.88
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
CID 79115137
4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
CID 36965111
4-N-[(4-bromo-3-methylphenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115569
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide
CID 106631671
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide?
The IUPAC name of 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide (CID 79115625) is 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide is CCN(Cc1ccc(C(N)=O)cc1)C1CCC(N)CC1.
What is the InChIKey of 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide?
The InChIKey is UPFHEGUIUMVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19(15-9-7-14(17)8-10-15)11-12-3-5-13(6-4-12)16(18)20/h3-6,14-15H,2,7-11,17H2,1H3,(H2,18,20).
What are the key properties of 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide?
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide is sourced from PubChem (CID 79115625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).