2-methyl-N,N-bis(prop-2-enyl)pentanamide

C12H21NO — CID 4628436

IUPAC2-methyl-N,N-bis(prop-2-enyl)pentanamide
SMILESC=CCN(CC=C)C(=O)C(C)CCC
InChIInChI=1S/C12H21NO/c1-5-8-11(4)12(14)13(9-6-2)10-7-3/h6-7,11H,2-3,5,8-10H2,1,4H3
InChIKeyRXNCUZDXFCCPMC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds7

About 2-methyl-N,N-bis(prop-2-enyl)pentanamide

2-methyl-N,N-bis(prop-2-enyl)pentanamide (PubChem CID 4628436) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-N,N-bis(prop-2-enyl)pentanamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(prop-2-enyl)pentanamide
PubChem CID4628436
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-N,N-bis(prop-2-enyl)pentanamide
SMILESC=CCN(CC=C)C(=O)C(C)CCC
InChIInChI=1S/C12H21NO/c1-5-8-11(4)12(14)13(9-6-2)10-7-3/h6-7,11H,2-3,5,8-10H2,1,4H3
InChIKeyRXNCUZDXFCCPMC-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(prop-2-enyl)pentanamide?
The IUPAC name of 2-methyl-N,N-bis(prop-2-enyl)pentanamide (CID 4628436) is 2-methyl-N,N-bis(prop-2-enyl)pentanamide.
What is the SMILES notation for 2-methyl-N,N-bis(prop-2-enyl)pentanamide?
The canonical SMILES for 2-methyl-N,N-bis(prop-2-enyl)pentanamide is C=CCN(CC=C)C(=O)C(C)CCC.
What is the InChIKey of 2-methyl-N,N-bis(prop-2-enyl)pentanamide?
The InChIKey is RXNCUZDXFCCPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-8-11(4)12(14)13(9-6-2)10-7-3/h6-7,11H,2-3,5,8-10H2,1,4H3.
What are the key properties of 2-methyl-N,N-bis(prop-2-enyl)pentanamide?
2-methyl-N,N-bis(prop-2-enyl)pentanamide has a molecular weight of 195.31 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(prop-2-enyl)pentanamide is sourced from PubChem (CID 4628436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).