4-amino-N-(2-methylprop-2-enyl)pentanamide

C9H18N2O — CID 114617045

IUPAC4-amino-N-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)CCC(C)N
InChIInChI=1S/C9H18N2O/c1-7(2)6-11-9(12)5-4-8(3)10/h8H,1,4-6,10H2,2-3H3,(H,11,12)
InChIKeyDOFZTOJOPZGIQP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds5

About 4-amino-N-(2-methylprop-2-enyl)pentanamide

4-amino-N-(2-methylprop-2-enyl)pentanamide (PubChem CID 114617045) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-amino-N-(2-methylprop-2-enyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(2-methylprop-2-enyl)pentanamide
PubChem CID114617045
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-amino-N-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)CCC(C)N
InChIInChI=1S/C9H18N2O/c1-7(2)6-11-9(12)5-4-8(3)10/h8H,1,4-6,10H2,2-3H3,(H,11,12)
InChIKeyDOFZTOJOPZGIQP-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114617228
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
(4R)-4-amino-N-propylpentanamide
CID 146234117
2-methylprop-2-enylurea
CID 22226516
4-amino-N-(2-oxoethyl)pentanamide
CID 143686044
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
4-amino-N-formylpentanamide
CID 143583899
2-amino-N-[2-[[2-[[2-[[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 121440614
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597
ethyl 2-(5-aminohexanoylamino)acetate
CID 82852077
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylprop-2-enyl)pentanamide?
The IUPAC name of 4-amino-N-(2-methylprop-2-enyl)pentanamide (CID 114617045) is 4-amino-N-(2-methylprop-2-enyl)pentanamide.
What is the SMILES notation for 4-amino-N-(2-methylprop-2-enyl)pentanamide?
The canonical SMILES for 4-amino-N-(2-methylprop-2-enyl)pentanamide is C=C(C)CNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-(2-methylprop-2-enyl)pentanamide?
The InChIKey is DOFZTOJOPZGIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)6-11-9(12)5-4-8(3)10/h8H,1,4-6,10H2,2-3H3,(H,11,12).
What are the key properties of 4-amino-N-(2-methylprop-2-enyl)pentanamide?
4-amino-N-(2-methylprop-2-enyl)pentanamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylprop-2-enyl)pentanamide is sourced from PubChem (CID 114617045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).