(E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide

C21H42N4O2 — CID 87433535

IUPAC(E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide
SMILESCCC(/C=C(\C)C(N)=O)N(CC)CC.CCC(/C=C/C(N)=O)N(CC)CC
InChIInChI=1S/C11H22N2O.C10H20N2O/c1-5-10(13(6-2)7-3)8-9(4)11(12)14;1-4-9(7-8-10(11)13)12(5-2)6-3/h8,10H,5-7H2,1-4H3,(H2,12,14);7-9H,4-6H2,1-3H3,(H2,11,13)/b9-8+;8-7+
InChIKeyNUAFBQUELJIUCE-ITFLXOGHSA-N
MW382.59 g/mol
LogP2.69
Rot. Bonds12

About (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide

(E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide (PubChem CID 87433535) has the molecular formula C21H42N4O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide
PubChem CID87433535
Molecular FormulaC21H42N4O2
Molecular Weight382.59 g/mol
Exact Mass382.33
IUPAC Name(E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide
SMILESCCC(/C=C(\C)C(N)=O)N(CC)CC.CCC(/C=C/C(N)=O)N(CC)CC
InChIInChI=1S/C11H22N2O.C10H20N2O/c1-5-10(13(6-2)7-3)8-9(4)11(12)14;1-4-9(7-8-10(11)13)12(5-2)6-3/h8,10H,5-7H2,1-4H3,(H2,12,14);7-9H,4-6H2,1-3H3,(H2,11,13)/b9-8+;8-7+
InChIKeyNUAFBQUELJIUCE-ITFLXOGHSA-N
XLogP2.69
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dihexylamino)-2-methylhex-2-enamide
CID 173220582
4-amino-2-methylhex-2-enamide
CID 73453875
4-[bis(prop-2-enyl)amino]-2-methylhex-2-enoic acid
CID 173035693
2-(diethylamino)butanal
CID 57012052
4-(dimethylamino)hex-2-enoic acid
CID 173288981
4-(diethylamino)-2-methylhept-2-enoic acid
CID 173094922
4-acetylhepta-2,5-dienediamide
CID 57261872
2-methyl-4-triethoxysilylhex-2-enamide
CID 173061961
4-methylhepta-2,5-dienediamide
CID 54037507
(E)-5-ethyl-2-methylhept-2-enamide
CID 140867486
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563
(E,5S)-5-(diethylamino)hex-3-en-2-one
CID 177230850

Frequently Asked Questions

What is the IUPAC name of (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide?
The IUPAC name of (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide (CID 87433535) is (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide.
What is the SMILES notation for (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide?
The canonical SMILES for (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide is CCC(/C=C(\C)C(N)=O)N(CC)CC.CCC(/C=C/C(N)=O)N(CC)CC.
What is the InChIKey of (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide?
The InChIKey is NUAFBQUELJIUCE-ITFLXOGHSA-N. The full InChI is InChI=1S/C11H22N2O.C10H20N2O/c1-5-10(13(6-2)7-3)8-9(4)11(12)14;1-4-9(7-8-10(11)13)12(5-2)6-3/h8,10H,5-7H2,1-4H3,(H2,12,14);7-9H,4-6H2,1-3H3,(H2,11,13)/b9-8+;8-7+.
What are the key properties of (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide?
(E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide has a molecular weight of 382.59 g/mol, XLogP of 2.69, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 87433535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).