5-amino-2-propan-2-ylidenepentanamide

C8H16N2O — CID 87060156

IUPAC5-amino-2-propan-2-ylidenepentanamide
SMILESCC(C)=C(CCCN)C(N)=O
InChIInChI=1S/C8H16N2O/c1-6(2)7(8(10)11)4-3-5-9/h3-5,9H2,1-2H3,(H2,10,11)
InChIKeyFDHIVUZVYROTOI-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.55
Rot. Bonds4

About 5-amino-2-propan-2-ylidenepentanamide

5-amino-2-propan-2-ylidenepentanamide (PubChem CID 87060156) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-amino-2-propan-2-ylidenepentanamide.

Molecular Properties

Compound Name5-amino-2-propan-2-ylidenepentanamide
PubChem CID87060156
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name5-amino-2-propan-2-ylidenepentanamide
SMILESCC(C)=C(CCCN)C(N)=O
InChIInChI=1S/C8H16N2O/c1-6(2)7(8(10)11)4-3-5-9/h3-5,9H2,1-2H3,(H2,10,11)
InChIKeyFDHIVUZVYROTOI-UHFFFAOYSA-N
XLogP0.55
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-2-propan-2-ylidenepentanamide
CID 156782224
2-ethyl-3-methylbut-2-enamide
CID 55290055
diethyl 2,3-bis(3-aminopropyl)but-2-enedioate
CID 173178622
acetic acid;propane-1,3-diamine
CID 158444659
5-aminopentanamide;ethane
CID 145257040
4-aminobutanoic acid;urea
CID 87654258
acetic acid;alumane;propane-1,3-diamine
CID 173265651
5-amino-2-propan-2-ylidenepentanal
CID 173295367
7-amino-2-methylhept-2-en-4-one
CID 116553411
6-amino-2-methylhex-2-enamide
CID 54113800
acetyloxymethyl 4-aminobutanoate
CID 143907258
acetamide;decan-1-amine
CID 160911015

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-ylidenepentanamide?
The IUPAC name of 5-amino-2-propan-2-ylidenepentanamide (CID 87060156) is 5-amino-2-propan-2-ylidenepentanamide.
What is the SMILES notation for 5-amino-2-propan-2-ylidenepentanamide?
The canonical SMILES for 5-amino-2-propan-2-ylidenepentanamide is CC(C)=C(CCCN)C(N)=O.
What is the InChIKey of 5-amino-2-propan-2-ylidenepentanamide?
The InChIKey is FDHIVUZVYROTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)7(8(10)11)4-3-5-9/h3-5,9H2,1-2H3,(H2,10,11).
What are the key properties of 5-amino-2-propan-2-ylidenepentanamide?
5-amino-2-propan-2-ylidenepentanamide has a molecular weight of 156.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-ylidenepentanamide is sourced from PubChem (CID 87060156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).