5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide

C12H25N3O2 — CID 82012399

IUPAC5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
SMILESCC(CN)CCC(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)12(17)15-7-6-14-11(16)5-4-10(3)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWXLGKFZTKJCIEV-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.25
Rot. Bonds8

About 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide

5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide (PubChem CID 82012399) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
PubChem CID82012399
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
SMILESCC(CN)CCC(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)12(17)15-7-6-14-11(16)5-4-10(3)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWXLGKFZTKJCIEV-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
5-amino-N-(2,3-dimethylbutyl)-4-methylpentanamide
CID 82688279
5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide (CID 82012399) is 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide is CC(CN)CCC(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide?
The InChIKey is WXLGKFZTKJCIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)12(17)15-7-6-14-11(16)5-4-10(3)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide?
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide is sourced from PubChem (CID 82012399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).