1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane

C19H35N3W — CID 142064433

IUPAC1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane
SMILESC/C=C\C1=C(CC)CCCC(NC(=[W])CC)/C1=N\N.CC(C)C
InChIInChI=1S/C15H25N3.C4H10.W/c1-4-8-13-12(6-3)9-7-10-14(15(13)18-16)17-11-5-2;1-4(2)3;/h4,8,14,17H,5-7,9-10,16H2,1-3H3;4H,1-3H3;/b8-4-,18-15-;;
InChIKeyOFEUTROSVSGFHU-CUOAFUJRSA-N
MW489.35 g/mol
LogP4.47
Rot. Bonds5

About 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane

1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane (PubChem CID 142064433) has the molecular formula C19H35N3W and a molecular weight of 489.35 g/mol. Its IUPAC name is 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane.

Molecular Properties

Compound Name1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane
PubChem CID142064433
Molecular FormulaC19H35N3W
Molecular Weight489.35 g/mol
Exact Mass489.23
IUPAC Name1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane
SMILESC/C=C\C1=C(CC)CCCC(NC(=[W])CC)/C1=N\N.CC(C)C
InChIInChI=1S/C15H25N3.C4H10.W/c1-4-8-13-12(6-3)9-7-10-14(15(13)18-16)17-11-5-2;1-4(2)3;/h4,8,14,17H,5-7,9-10,16H2,1-3H3;4H,1-3H3;/b8-4-,18-15-;;
InChIKeyOFEUTROSVSGFHU-CUOAFUJRSA-N
XLogP4.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine
CID 130374413
2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine
CID 163746263
1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten
CID 142064434
(8E)-N-[(3E)-5-[(2E)-hexa-2,5-dien-2-yl]imino-3,6-dimethylhepta-1,3,6-trien-2-yl]-8,9-dimethylundeca-1,8,10-trien-4-amine
CID 143344870

Frequently Asked Questions

What is the IUPAC name of 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane?
The IUPAC name of 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane (CID 142064433) is 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane.
What is the SMILES notation for 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane?
The canonical SMILES for 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane is C/C=C\C1=C(CC)CCCC(NC(=[W])CC)/C1=N\N.CC(C)C.
What is the InChIKey of 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane?
The InChIKey is OFEUTROSVSGFHU-CUOAFUJRSA-N. The full InChI is InChI=1S/C15H25N3.C4H10.W/c1-4-8-13-12(6-3)9-7-10-14(15(13)18-16)17-11-5-2;1-4(2)3;/h4,8,14,17H,5-7,9-10,16H2,1-3H3;4H,1-3H3;/b8-4-,18-15-;;.
What are the key properties of 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane?
1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane has a molecular weight of 489.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2Z)-4-ethyl-2-hydrazinylidene-3-[(Z)-prop-1-enyl]cyclohept-3-en-1-yl]amino]propylidenetungsten;2-methylpropane is sourced from PubChem (CID 142064433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).