4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide

C15H24ClN3O — CID 102669347

IUPAC4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide
SMILESCC(C)C(N)CCN(C)Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H24ClN3O/c1-10(2)14(17)6-7-19(3)9-12-5-4-11(15(18)20)8-13(12)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3,(H2,18,20)
InChIKeyLHCFAQXKHWFBPE-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.24
Rot. Bonds7

About 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide

4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide (PubChem CID 102669347) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide
PubChem CID102669347
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide
SMILESCC(C)C(N)CCN(C)Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H24ClN3O/c1-10(2)14(17)6-7-19(3)9-12-5-4-11(15(18)20)8-13(12)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3,(H2,18,20)
InChIKeyLHCFAQXKHWFBPE-UHFFFAOYSA-N
XLogP2.24
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide
CID 115318126
4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide
CID 82809011
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 102669675
3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide
CID 102669681
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide
CID 102670778
4-[[butyl(methyl)amino]methyl]-3-chlorobenzoic acid
CID 102669802
4-[(2-chloro-4-fluorophenyl)methyl-methylamino]butan-2-ol
CID 115665893
4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide
CID 114484817

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide?
The IUPAC name of 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide (CID 102669347) is 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide is CC(C)C(N)CCN(C)Cc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide?
The InChIKey is LHCFAQXKHWFBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-10(2)14(17)6-7-19(3)9-12-5-4-11(15(18)20)8-13(12)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3,(H2,18,20).
What are the key properties of 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide?
4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide has a molecular weight of 297.83 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide is sourced from PubChem (CID 102669347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).