2-methylidene-N,N-di(propan-2-yl)pentanamide

C12H23NO — CID 87269106

IUPAC2-methylidene-N,N-di(propan-2-yl)pentanamide
SMILESC=C(CCC)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-7-8-11(6)12(14)13(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyWYNZFGVFCWKCRA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds5

About 2-methylidene-N,N-di(propan-2-yl)pentanamide

2-methylidene-N,N-di(propan-2-yl)pentanamide (PubChem CID 87269106) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methylidene-N,N-di(propan-2-yl)pentanamide.

Molecular Properties

Compound Name2-methylidene-N,N-di(propan-2-yl)pentanamide
PubChem CID87269106
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methylidene-N,N-di(propan-2-yl)pentanamide
SMILESC=C(CCC)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-7-8-11(6)12(14)13(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyWYNZFGVFCWKCRA-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethylideneoctane
CID 13294231
4-methylideneheptan-3-one
CID 13485259
N-(2-aminoethyl)-2-methylidene-N-propylpentanamide
CID 19764256
N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride
CID 141246092
2-methylidenepentanoic acid;hydrate
CID 88770361
N,N-di(propan-2-yl)oct-4-en-4-amine
CID 141319755
dimethylamino 2-methylidenepentanoate
CID 19885812
N-hydroxy-2-methylidenepentanamide
CID 22256183
2-methylidene-N,N-dipropylhexanamide
CID 87269108
N,N-dimethyl-2-methylidenedodecanamide
CID 88681161
4-[di(propan-2-yl)amino]-2-methylidenebutanoate
CID 23065071
N-ethenyl-N-propan-2-ylbutanamide
CID 87389097

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N,N-di(propan-2-yl)pentanamide?
The IUPAC name of 2-methylidene-N,N-di(propan-2-yl)pentanamide (CID 87269106) is 2-methylidene-N,N-di(propan-2-yl)pentanamide.
What is the SMILES notation for 2-methylidene-N,N-di(propan-2-yl)pentanamide?
The canonical SMILES for 2-methylidene-N,N-di(propan-2-yl)pentanamide is C=C(CCC)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-methylidene-N,N-di(propan-2-yl)pentanamide?
The InChIKey is WYNZFGVFCWKCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-8-11(6)12(14)13(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-methylidene-N,N-di(propan-2-yl)pentanamide?
2-methylidene-N,N-di(propan-2-yl)pentanamide has a molecular weight of 197.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N,N-di(propan-2-yl)pentanamide is sourced from PubChem (CID 87269106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).