(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide

C12H22N2O — CID 81484728

IUPAC(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide
SMILESCC=C/C=C/C(=O)NCC(N)(CC)CC
InChIInChI=1S/C12H22N2O/c1-4-7-8-9-11(15)14-10-12(13,5-2)6-3/h4,7-9H,5-6,10,13H2,1-3H3,(H,14,15)/b7-4?,9-8+
InChIKeyNXGIUYYXHSGALU-KMAKVMIOSA-N
MW210.32 g/mol
LogP1.75
Rot. Bonds6

About (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide

(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide (PubChem CID 81484728) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide
PubChem CID81484728
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide
SMILESCC=C/C=C/C(=O)NCC(N)(CC)CC
InChIInChI=1S/C12H22N2O/c1-4-7-8-9-11(15)14-10-12(13,5-2)6-3/h4,7-9H,5-6,10,13H2,1-3H3,(H,14,15)/b7-4?,9-8+
InChIKeyNXGIUYYXHSGALU-KMAKVMIOSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77113943
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide
CID 103839882
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
2-ethyl-2-(hexa-2,4-dienoylamino)butanoic acid
CID 79806258
1-(2-amino-2-ethylbutyl)-3-ethylurea
CID 115305864
N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide
CID 77046922
N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77055644
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
1-(2-amino-2-ethylbutyl)-3-tert-butylurea
CID 115305870
N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide
CID 115301151
(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide
CID 110839216

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide?
The IUPAC name of (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide (CID 81484728) is (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide?
The canonical SMILES for (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide is CC=C/C=C/C(=O)NCC(N)(CC)CC.
What is the InChIKey of (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide?
The InChIKey is NXGIUYYXHSGALU-KMAKVMIOSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-8-9-11(15)14-10-12(13,5-2)6-3/h4,7-9H,5-6,10,13H2,1-3H3,(H,14,15)/b7-4?,9-8+.
What are the key properties of (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide?
(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide has a molecular weight of 210.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide is sourced from PubChem (CID 81484728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).