(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide

C12H22N2O — CID 123433689

IUPAC(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide
SMILES[H]/N=C(/C=C(\CC)C(=O)NC(C)CC)CC
InChIInChI=1S/C12H22N2O/c1-5-9(4)14-12(15)10(6-2)8-11(13)7-3/h8-9,13H,5-7H2,1-4H3,(H,14,15)/b10-8+,13-11+
InChIKeyYDHFRFFVCOJJDM-HATNNVTISA-N
MW210.32 g/mol
LogP2.67
Rot. Bonds6

About (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide

(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide (PubChem CID 123433689) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide.

Molecular Properties

Compound Name(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide
PubChem CID123433689
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide
SMILES[H]/N=C(/C=C(\CC)C(=O)NC(C)CC)CC
InChIInChI=1S/C12H22N2O/c1-5-9(4)14-12(15)10(6-2)8-11(13)7-3/h8-9,13H,5-7H2,1-4H3,(H,14,15)/b10-8+,13-11+
InChIKeyYDHFRFFVCOJJDM-HATNNVTISA-N
XLogP2.67
TPSA52.95 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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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N-propan-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide
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(2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide
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(2E,6E)-2,7-diethyl-4,5-bis(methylimino)-N,N'-bis(prop-2-enyl)octa-2,6-dienediamide
CID 123202656
2-amino-N-(3,3-dimethylbutan-2-yl)-6-methyl-2,3-dihydropyridine-4-carboxamide
CID 123280112
(6E)-6-ethylidene-2,5-dimethyl-2,3-dihydro-1H-1,4-diazepin-7-one
CID 123444035
(2E)-2-ethylidene-3-imino-N-methylpent-4-enamide
CID 123731073
(E)-4-butan-2-ylimino-2-methyl-N-[(E)-pent-2-enyl]but-2-enamide
CID 124182009
(E)-2-ethyl-N-propan-2-ylbut-2-enamide
CID 133663704
6-amino-2-methyl-N-propan-2-ylhex-2-enamide
CID 140346888

Frequently Asked Questions

What is the IUPAC name of (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide?
The IUPAC name of (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide (CID 123433689) is (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide.
What is the SMILES notation for (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide?
The canonical SMILES for (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide is [H]/N=C(/C=C(\CC)C(=O)NC(C)CC)CC.
What is the InChIKey of (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide?
The InChIKey is YDHFRFFVCOJJDM-HATNNVTISA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-9(4)14-12(15)10(6-2)8-11(13)7-3/h8-9,13H,5-7H2,1-4H3,(H,14,15)/b10-8+,13-11+.
What are the key properties of (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide?
(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide is sourced from PubChem (CID 123433689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).