N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide

C12H22N2O — CID 146416578

IUPACN-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
SMILESC=C(C)CC/N=C/C(C)CNC(=O)CC
InChIInChI=1S/C12H22N2O/c1-5-12(15)14-9-11(4)8-13-7-6-10(2)3/h8,11H,2,5-7,9H2,1,3-4H3,(H,14,15)/b13-8+
InChIKeySQHCSXWIJUZYHL-MDWZMJQESA-N
MW210.32 g/mol
LogP2.19
Rot. Bonds7

About N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide

N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide (PubChem CID 146416578) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
PubChem CID146416578
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
SMILESC=C(C)CC/N=C/C(C)CNC(=O)CC
InChIInChI=1S/C12H22N2O/c1-5-12(15)14-9-11(4)8-13-7-6-10(2)3/h8,11H,2,5-7,9H2,1,3-4H3,(H,14,15)/b13-8+
InChIKeySQHCSXWIJUZYHL-MDWZMJQESA-N
XLogP2.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide?
The IUPAC name of N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide (CID 146416578) is N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide?
The canonical SMILES for N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide is C=C(C)CC/N=C/C(C)CNC(=O)CC.
What is the InChIKey of N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide?
The InChIKey is SQHCSXWIJUZYHL-MDWZMJQESA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-12(15)14-9-11(4)8-13-7-6-10(2)3/h8,11H,2,5-7,9H2,1,3-4H3,(H,14,15)/b13-8+.
What are the key properties of N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide?
N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide has a molecular weight of 210.32 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide is sourced from PubChem (CID 146416578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).