6-amino-N-(3-cyanophenyl)-N-methylhexanamide

C14H19N3O — CID 62983019

IUPAC6-amino-N-(3-cyanophenyl)-N-methylhexanamide
SMILESCN(C(=O)CCCCCN)c1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-17(14(18)8-3-2-4-9-15)13-7-5-6-12(10-13)11-16/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyKSRJJTAZHYVTRO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds6

About 6-amino-N-(3-cyanophenyl)-N-methylhexanamide

6-amino-N-(3-cyanophenyl)-N-methylhexanamide (PubChem CID 62983019) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-amino-N-(3-cyanophenyl)-N-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-(3-cyanophenyl)-N-methylhexanamide
PubChem CID62983019
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-amino-N-(3-cyanophenyl)-N-methylhexanamide
SMILESCN(C(=O)CCCCCN)c1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-17(14(18)8-3-2-4-9-15)13-7-5-6-12(10-13)11-16/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyKSRJJTAZHYVTRO-UHFFFAOYSA-N
XLogP2.04
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
CID 78974691
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide
CID 55139836
7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-cyanophenyl)-N-methylhexanamide?
The IUPAC name of 6-amino-N-(3-cyanophenyl)-N-methylhexanamide (CID 62983019) is 6-amino-N-(3-cyanophenyl)-N-methylhexanamide.
What is the SMILES notation for 6-amino-N-(3-cyanophenyl)-N-methylhexanamide?
The canonical SMILES for 6-amino-N-(3-cyanophenyl)-N-methylhexanamide is CN(C(=O)CCCCCN)c1cccc(C#N)c1.
What is the InChIKey of 6-amino-N-(3-cyanophenyl)-N-methylhexanamide?
The InChIKey is KSRJJTAZHYVTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(14(18)8-3-2-4-9-15)13-7-5-6-12(10-13)11-16/h5-7,10H,2-4,8-9,15H2,1H3.
What are the key properties of 6-amino-N-(3-cyanophenyl)-N-methylhexanamide?
6-amino-N-(3-cyanophenyl)-N-methylhexanamide has a molecular weight of 245.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-cyanophenyl)-N-methylhexanamide is sourced from PubChem (CID 62983019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).