3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide

C12H26N2O2 — CID 174829083

IUPAC3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)NCCC.CN(C)CCCO
InChIInChI=1S/C7H13NO.C5H13NO/c1-4-5-8-7(9)6(2)3;1-6(2)4-3-5-7/h2,4-5H2,1,3H3,(H,8,9);7H,3-5H2,1-2H3
InChIKeyOIOMIAJGVZCOJH-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.02
Rot. Bonds6

About 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide

3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide (PubChem CID 174829083) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide
PubChem CID174829083
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)NCCC.CN(C)CCCO
InChIInChI=1S/C7H13NO.C5H13NO/c1-4-5-8-7(9)6(2)3;1-6(2)4-3-5-7/h2,4-5H2,1,3H3,(H,8,9);7H,3-5H2,1-2H3
InChIKeyOIOMIAJGVZCOJH-UHFFFAOYSA-N
XLogP1.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide?
The IUPAC name of 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide (CID 174829083) is 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide.
What is the SMILES notation for 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide?
The canonical SMILES for 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide is C=C(C)C(=O)NCCC.CN(C)CCCO.
What is the InChIKey of 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide?
The InChIKey is OIOMIAJGVZCOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H13NO/c1-4-5-8-7(9)6(2)3;1-6(2)4-3-5-7/h2,4-5H2,1,3H3,(H,8,9);7H,3-5H2,1-2H3.
What are the key properties of 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide?
3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide has a molecular weight of 230.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propan-1-ol;2-methyl-N-propylprop-2-enamide is sourced from PubChem (CID 174829083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).