2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide

C12H24N2O — CID 18947368

IUPAC2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCNC(CC)CC
InChIInChI=1S/C12H24N2O/c1-5-11(6-2)13-8-7-9-14-12(15)10(3)4/h11,13H,3,5-9H2,1-2,4H3,(H,14,15)
InChIKeyOVAZQBMINNSLJC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.85
Rot. Bonds8

About 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide

2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide (PubChem CID 18947368) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide
PubChem CID18947368
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCNC(CC)CC
InChIInChI=1S/C12H24N2O/c1-5-11(6-2)13-8-7-9-14-12(15)10(3)4/h11,13H,3,5-9H2,1-2,4H3,(H,14,15)
InChIKeyOVAZQBMINNSLJC-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide (CID 18947368) is 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide is C=C(C)C(=O)NCCCNC(CC)CC.
What is the InChIKey of 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide?
The InChIKey is OVAZQBMINNSLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-11(6-2)13-8-7-9-14-12(15)10(3)4/h11,13H,3,5-9H2,1-2,4H3,(H,14,15).
What are the key properties of 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide?
2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(pentan-3-ylamino)propyl]prop-2-enamide is sourced from PubChem (CID 18947368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).