(2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine

C14H26N2O2 — CID 170964425

IUPAC(2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine
SMILESC=C/C=C(\C=C/C)C(=O)NCC(C)(C)CO.CN
InChIInChI=1S/C13H21NO2.CH5N/c1-5-7-11(8-6-2)12(16)14-9-13(3,4)10-15;1-2/h5-8,15H,1,9-10H2,2-4H3,(H,14,16);2H2,1H3/b8-6-,11-7+;
InChIKeyIODWSHCVTUNJSN-YMMIPXNQSA-N
MW254.37 g/mol
LogP1.38
Rot. Bonds6

About (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine

(2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine (PubChem CID 170964425) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine.

Molecular Properties

Compound Name(2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine
PubChem CID170964425
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine
SMILESC=C/C=C(\C=C/C)C(=O)NCC(C)(C)CO.CN
InChIInChI=1S/C13H21NO2.CH5N/c1-5-7-11(8-6-2)12(16)14-9-13(3,4)10-15;1-2/h5-8,15H,1,9-10H2,2-4H3,(H,14,16);2H2,1H3/b8-6-,11-7+;
InChIKeyIODWSHCVTUNJSN-YMMIPXNQSA-N
XLogP1.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine with MolForge

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Related Compounds

Rehmagluamide
CID 171121049
(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide
CID 167046842
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
CID 5318234
(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide
CID 104857267
2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide
CID 145399724
N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43417829
1-(3-Hydroxypropyl)-6-oxopyridine-3-carboxamide
CID 69801291
N-(3-hydroxypropyl)-2-methylpent-2-enamide
CID 74876271
N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
CID 78385073
3-[[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienoyl]amino]propanoic acid
CID 88586359
(Z,3Z)-6-amino-3-ethylidene-N-(3-hydroxypropyl)hex-4-enamide
CID 89940514

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine?
The IUPAC name of (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine (CID 170964425) is (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine.
What is the SMILES notation for (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine?
The canonical SMILES for (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine is C=C/C=C(\C=C/C)C(=O)NCC(C)(C)CO.CN.
What is the InChIKey of (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine?
The InChIKey is IODWSHCVTUNJSN-YMMIPXNQSA-N. The full InChI is InChI=1S/C13H21NO2.CH5N/c1-5-7-11(8-6-2)12(16)14-9-13(3,4)10-15;1-2/h5-8,15H,1,9-10H2,2-4H3,(H,14,16);2H2,1H3/b8-6-,11-7+;.
What are the key properties of (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine?
(2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine has a molecular weight of 254.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine is sourced from PubChem (CID 170964425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).