(E)-4-(ethylamino)-2-methylhex-2-enamide

C9H18N2O — CID 22497376

IUPAC(E)-4-(ethylamino)-2-methylhex-2-enamide
SMILESCCNC(/C=C(\C)C(N)=O)CC
InChIInChI=1S/C9H18N2O/c1-4-8(11-5-2)6-7(3)9(10)12/h6,8,11H,4-5H2,1-3H3,(H2,10,12)/b7-6+
InChIKeyFHKBYEOCKUJISH-VOTSOKGWSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds5

About (E)-4-(ethylamino)-2-methylhex-2-enamide

(E)-4-(ethylamino)-2-methylhex-2-enamide (PubChem CID 22497376) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (E)-4-(ethylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-4-(ethylamino)-2-methylhex-2-enamide
PubChem CID22497376
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(E)-4-(ethylamino)-2-methylhex-2-enamide
SMILESCCNC(/C=C(\C)C(N)=O)CC
InChIInChI=1S/C9H18N2O/c1-4-8(11-5-2)6-7(3)9(10)12/h6,8,11H,4-5H2,1-3H3,(H2,10,12)/b7-6+
InChIKeyFHKBYEOCKUJISH-VOTSOKGWSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)-N-methylhex-2-enamide
CID 44570054
(2E)-N-(3-aminopropyl)-3,7-dimethylocta-2,6-dienamide
CID 60168428
Sarmentosamide
CID 139584912
(E)-N-(2-methylprop-2-enyl)hex-2-enamide
CID 177639150
3,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12007567
3-Dimethylamino propyl methacrylamide
CID 15120180
Dimethylaminopropylmetacrylamide
CID 17957695
Dimethylaminopropylmethacrylamide
CID 20976834
2-(Dimethylamino)propylmethacrylamide
CID 129721861
Diethyl aminoethylmethacrylamide
CID 129774130
2-Aminopropylmethacrylamide
CID 129847645
n-Dimethylaminoethyl methacrylamide
CID 140337348

Frequently Asked Questions

What is the IUPAC name of (E)-4-(ethylamino)-2-methylhex-2-enamide?
The IUPAC name of (E)-4-(ethylamino)-2-methylhex-2-enamide (CID 22497376) is (E)-4-(ethylamino)-2-methylhex-2-enamide.
What is the SMILES notation for (E)-4-(ethylamino)-2-methylhex-2-enamide?
The canonical SMILES for (E)-4-(ethylamino)-2-methylhex-2-enamide is CCNC(/C=C(\C)C(N)=O)CC.
What is the InChIKey of (E)-4-(ethylamino)-2-methylhex-2-enamide?
The InChIKey is FHKBYEOCKUJISH-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-8(11-5-2)6-7(3)9(10)12/h6,8,11H,4-5H2,1-3H3,(H2,10,12)/b7-6+.
What are the key properties of (E)-4-(ethylamino)-2-methylhex-2-enamide?
(E)-4-(ethylamino)-2-methylhex-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(ethylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 22497376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).