(2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide

C13H20N2O — CID 123160009

IUPAC(2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide
SMILES[H]/N=C/C/C(C)=C/C=C(\CC)C(=O)NC1CC1
InChIInChI=1S/C13H20N2O/c1-3-11(5-4-10(2)8-9-14)13(16)15-12-6-7-12/h4-5,9,12,14H,3,6-8H2,1-2H3,(H,15,16)/b10-4+,11-5+,14-9+
InChIKeyTUXJKEPBEWLHHU-GSSKNFACSA-N
MW220.32 g/mol
LogP2.59
Rot. Bonds6

About (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide

(2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide (PubChem CID 123160009) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide
PubChem CID123160009
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide
SMILES[H]/N=C/C/C(C)=C/C=C(\CC)C(=O)NC1CC1
InChIInChI=1S/C13H20N2O/c1-3-11(5-4-10(2)8-9-14)13(16)15-12-6-7-12/h4-5,9,12,14H,3,6-8H2,1-2H3,(H,15,16)/b10-4+,11-5+,14-9+
InChIKeyTUXJKEPBEWLHHU-GSSKNFACSA-N
XLogP2.59
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.59
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide
CID 91218555
5-methyl-N-propan-2-yl-2-prop-1-en-2-ylhexa-2,4-dienamide
CID 123431948
(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide
CID 123433689
(E)-4-butan-2-ylimino-2-methyl-N-[(E)-pent-2-enyl]but-2-enamide
CID 124182009
(2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane
CID 142305880
(2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen
CID 143436287
(2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane
CID 143520595
(2E,3Z)-N-cyclopropyl-2-ethylidene-5-methylhexa-3,5-dienamide
CID 144403506
(2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane
CID 144574804
(E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide
CID 163748350
(2E,4Z)-N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide
CID 167032971
(2E,4Z)-N-butyl-4-(iodoiminomethyl)hexa-2,4-dienamide
CID 173774376

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide (CID 123160009) is (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide is [H]/N=C/C/C(C)=C/C=C(\CC)C(=O)NC1CC1.
What is the InChIKey of (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide?
The InChIKey is TUXJKEPBEWLHHU-GSSKNFACSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-11(5-4-10(2)8-9-14)13(16)15-12-6-7-12/h4-5,9,12,14H,3,6-8H2,1-2H3,(H,15,16)/b10-4+,11-5+,14-9+.
What are the key properties of (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide?
(2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide has a molecular weight of 220.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide is sourced from PubChem (CID 123160009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).