(Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide

C11H20N2 — CID 143660702

IUPAC(Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide
SMILESC=C(/C=C\C/C(=N/C)NCC)CC
InChIInChI=1S/C11H20N2/c1-5-10(3)8-7-9-11(12-4)13-6-2/h7-8H,3,5-6,9H2,1-2,4H3,(H,12,13)/b8-7-
InChIKeyGABAYXADFAFBBM-FPLPWBNLSA-N
MW180.29 g/mol
LogP2.54
Rot. Bonds5

About (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide

(Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide (PubChem CID 143660702) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide.

Molecular Properties

Compound Name(Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide
PubChem CID143660702
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide
SMILESC=C(/C=C\C/C(=N/C)NCC)CC
InChIInChI=1S/C11H20N2/c1-5-10(3)8-7-9-11(12-4)13-6-2/h7-8H,3,5-6,9H2,1-2,4H3,(H,12,13)/b8-7-
InChIKeyGABAYXADFAFBBM-FPLPWBNLSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorocyclohepta-1,3,5-trien-1-yl)ethyl]-N'-methylethanimidamide
CID 126762958
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 121450918
2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
CID 122600421
(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
CID 123185969
N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide
CID 123274400
4-Chloro-2-hexa-2,4-dien-3-yl-5,6-dimethyl-1,2-dihydro-1,3,5-triazin-5-ium
CID 123349781

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide?
The IUPAC name of (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide (CID 143660702) is (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide.
What is the SMILES notation for (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide?
The canonical SMILES for (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide is C=C(/C=C\C/C(=N/C)NCC)CC.
What is the InChIKey of (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide?
The InChIKey is GABAYXADFAFBBM-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10(3)8-7-9-11(12-4)13-6-2/h7-8H,3,5-6,9H2,1-2,4H3,(H,12,13)/b8-7-.
What are the key properties of (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide?
(Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide is sourced from PubChem (CID 143660702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).