2-methyl-N,N-di(propan-2-yl)pent-4-enamide

C12H23NO — CID 13197575

IUPAC2-methyl-N,N-di(propan-2-yl)pent-4-enamide
SMILESC=CCC(C)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/h7,9-11H,1,8H2,2-6H3
InChIKeySMMUXBWQFHGYRC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-N,N-di(propan-2-yl)pent-4-enamide

2-methyl-N,N-di(propan-2-yl)pent-4-enamide (PubChem CID 13197575) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-N,N-di(propan-2-yl)pent-4-enamide.

Molecular Properties

Compound Name2-methyl-N,N-di(propan-2-yl)pent-4-enamide
PubChem CID13197575
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-N,N-di(propan-2-yl)pent-4-enamide
SMILESC=CCC(C)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/h7,9-11H,1,8H2,2-6H3
InChIKeySMMUXBWQFHGYRC-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
2,2,4-trimethylhept-6-en-3-one
CID 130027108
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
CID 123847432
N,N-bis(pent-4-en-2-yl)prop-2-enamide
CID 88606180
methyl 4-methyl-3-oxohept-6-enoate
CID 14289171
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867302
(2R)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867301
2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene
CID 166848470
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
2,5-dimethyloct-7-enoic acid
CID 155168749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-di(propan-2-yl)pent-4-enamide?
The IUPAC name of 2-methyl-N,N-di(propan-2-yl)pent-4-enamide (CID 13197575) is 2-methyl-N,N-di(propan-2-yl)pent-4-enamide.
What is the SMILES notation for 2-methyl-N,N-di(propan-2-yl)pent-4-enamide?
The canonical SMILES for 2-methyl-N,N-di(propan-2-yl)pent-4-enamide is C=CCC(C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N,N-di(propan-2-yl)pent-4-enamide?
The InChIKey is SMMUXBWQFHGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-8-11(6)12(14)13(9(2)3)10(4)5/h7,9-11H,1,8H2,2-6H3.
What are the key properties of 2-methyl-N,N-di(propan-2-yl)pent-4-enamide?
2-methyl-N,N-di(propan-2-yl)pent-4-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-di(propan-2-yl)pent-4-enamide is sourced from PubChem (CID 13197575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).