N,N-bis(prop-2-enyl)-3-(propylamino)propanamide

C12H22N2O — CID 87126891

IUPACN,N-bis(prop-2-enyl)-3-(propylamino)propanamide
SMILESC=CCN(CC=C)C(=O)CCNCCC
InChIInChI=1S/C12H22N2O/c1-4-8-13-9-7-12(15)14(10-5-2)11-6-3/h5-6,13H,2-4,7-11H2,1H3
InChIKeyLZVLXZGMJGDTMJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds9

About N,N-bis(prop-2-enyl)-3-(propylamino)propanamide

N,N-bis(prop-2-enyl)-3-(propylamino)propanamide (PubChem CID 87126891) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-3-(propylamino)propanamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-3-(propylamino)propanamide
PubChem CID87126891
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,N-bis(prop-2-enyl)-3-(propylamino)propanamide
SMILESC=CCN(CC=C)C(=O)CCNCCC
InChIInChI=1S/C12H22N2O/c1-4-8-13-9-7-12(15)14(10-5-2)11-6-3/h5-6,13H,2-4,7-11H2,1H3
InChIKeyLZVLXZGMJGDTMJ-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-3-(propylamino)propanamide?
The IUPAC name of N,N-bis(prop-2-enyl)-3-(propylamino)propanamide (CID 87126891) is N,N-bis(prop-2-enyl)-3-(propylamino)propanamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-3-(propylamino)propanamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-3-(propylamino)propanamide is C=CCN(CC=C)C(=O)CCNCCC.
What is the InChIKey of N,N-bis(prop-2-enyl)-3-(propylamino)propanamide?
The InChIKey is LZVLXZGMJGDTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-8-13-9-7-12(15)14(10-5-2)11-6-3/h5-6,13H,2-4,7-11H2,1H3.
What are the key properties of N,N-bis(prop-2-enyl)-3-(propylamino)propanamide?
N,N-bis(prop-2-enyl)-3-(propylamino)propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-3-(propylamino)propanamide is sourced from PubChem (CID 87126891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).