5-(2-amino-5-methylanilino)pentanamide

C12H19N3O — CID 106234008

IUPAC5-(2-amino-5-methylanilino)pentanamide
SMILESCc1ccc(N)c(NCCCCC(N)=O)c1
InChIInChI=1S/C12H19N3O/c1-9-5-6-10(13)11(8-9)15-7-3-2-4-12(14)16/h5-6,8,15H,2-4,7,13H2,1H3,(H2,14,16)
InChIKeyMPOHBLCIDKBZOX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds6

About 5-(2-amino-5-methylanilino)pentanamide

5-(2-amino-5-methylanilino)pentanamide (PubChem CID 106234008) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(2-amino-5-methylanilino)pentanamide.

Molecular Properties

Compound Name5-(2-amino-5-methylanilino)pentanamide
PubChem CID106234008
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(2-amino-5-methylanilino)pentanamide
SMILESCc1ccc(N)c(NCCCCC(N)=O)c1
InChIInChI=1S/C12H19N3O/c1-9-5-6-10(13)11(8-9)15-7-3-2-4-12(14)16/h5-6,8,15H,2-4,7,13H2,1H3,(H2,14,16)
InChIKeyMPOHBLCIDKBZOX-UHFFFAOYSA-N
XLogP1.64
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

ethyl 4-amino-3-[(5-amino-5-oxopentyl)amino]benzoate
CID 106240801
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
ethyl 3-amino-4-[(5-amino-5-oxopentyl)amino]benzoate
CID 106240798
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
5-[(3-amino-4-pyridinyl)amino]pentanamide
CID 106233945
5-amino-4-[(5-amino-5-oxopentyl)amino]-2-fluorobenzoic acid
CID 106234211
5-(2-amino-4-cyanoanilino)pentanamide
CID 106234043
5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
CID 106234030
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methylanilino)pentanamide?
The IUPAC name of 5-(2-amino-5-methylanilino)pentanamide (CID 106234008) is 5-(2-amino-5-methylanilino)pentanamide.
What is the SMILES notation for 5-(2-amino-5-methylanilino)pentanamide?
The canonical SMILES for 5-(2-amino-5-methylanilino)pentanamide is Cc1ccc(N)c(NCCCCC(N)=O)c1.
What is the InChIKey of 5-(2-amino-5-methylanilino)pentanamide?
The InChIKey is MPOHBLCIDKBZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-5-6-10(13)11(8-9)15-7-3-2-4-12(14)16/h5-6,8,15H,2-4,7,13H2,1H3,(H2,14,16).
What are the key properties of 5-(2-amino-5-methylanilino)pentanamide?
5-(2-amino-5-methylanilino)pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methylanilino)pentanamide is sourced from PubChem (CID 106234008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).