5-amino-N-methyl-2-propan-2-ylidenepentanamide

C9H18N2O — CID 156782224

IUPAC5-amino-N-methyl-2-propan-2-ylidenepentanamide
SMILESCNC(=O)C(CCCN)=C(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)8(5-4-6-10)9(12)11-3/h4-6,10H2,1-3H3,(H,11,12)
InChIKeyCKZGEHWOGIBVBP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds4

About 5-amino-N-methyl-2-propan-2-ylidenepentanamide

5-amino-N-methyl-2-propan-2-ylidenepentanamide (PubChem CID 156782224) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-amino-N-methyl-2-propan-2-ylidenepentanamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-propan-2-ylidenepentanamide
PubChem CID156782224
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-amino-N-methyl-2-propan-2-ylidenepentanamide
SMILESCNC(=O)C(CCCN)=C(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)8(5-4-6-10)9(12)11-3/h4-6,10H2,1-3H3,(H,11,12)
InChIKeyCKZGEHWOGIBVBP-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-propan-2-ylidenepentanamide
CID 87060156
diethyl 2,3-bis(3-aminopropyl)but-2-enedioate
CID 173178622
acetic acid;propane-1,3-diamine
CID 158444659
N,3-dimethyl-2-propylpent-2-enamide
CID 175801698
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
methyl 6-amino-2,3-dimethylhex-2-enoate
CID 57195661
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
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108
CID 160895097
CID 160895097
methyl 5-amino-2-oxopentanoate;hydrochloride
CID 140983642

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-propan-2-ylidenepentanamide?
The IUPAC name of 5-amino-N-methyl-2-propan-2-ylidenepentanamide (CID 156782224) is 5-amino-N-methyl-2-propan-2-ylidenepentanamide.
What is the SMILES notation for 5-amino-N-methyl-2-propan-2-ylidenepentanamide?
The canonical SMILES for 5-amino-N-methyl-2-propan-2-ylidenepentanamide is CNC(=O)C(CCCN)=C(C)C.
What is the InChIKey of 5-amino-N-methyl-2-propan-2-ylidenepentanamide?
The InChIKey is CKZGEHWOGIBVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)8(5-4-6-10)9(12)11-3/h4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 5-amino-N-methyl-2-propan-2-ylidenepentanamide?
5-amino-N-methyl-2-propan-2-ylidenepentanamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-propan-2-ylidenepentanamide is sourced from PubChem (CID 156782224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).