3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide

C12H22N2O — CID 60500565

IUPAC3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide
SMILESC=CCN(CC=C)CCC(=O)NC(C)C
InChIInChI=1S/C12H22N2O/c1-5-8-14(9-6-2)10-7-12(15)13-11(3)4/h5-6,11H,1-2,7-10H2,3-4H3,(H,13,15)
InChIKeyAMRHOYQYEWUAOZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds8

About 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide

3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide (PubChem CID 60500565) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide
PubChem CID60500565
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide
SMILESC=CCN(CC=C)CCC(=O)NC(C)C
InChIInChI=1S/C12H22N2O/c1-5-8-14(9-6-2)10-7-12(15)13-11(3)4/h5-6,11H,1-2,7-10H2,3-4H3,(H,13,15)
InChIKeyAMRHOYQYEWUAOZ-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide (CID 60500565) is 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide is C=CCN(CC=C)CCC(=O)NC(C)C.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is AMRHOYQYEWUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-8-14(9-6-2)10-7-12(15)13-11(3)4/h5-6,11H,1-2,7-10H2,3-4H3,(H,13,15).
What are the key properties of 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide?
3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 60500565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).