N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide

C10H16N2 — CID 126593765

IUPACN-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide
SMILESCC(C)/C=C/C=C/C(=NC=N)C
InChIInChI=1S/C10H16N2/c1-9(2)6-4-5-7-10(3)12-8-11/h4-9,11H,1-3H3/b6-4+,7-5+,11-8?,12-10?
InChIKeyOVLABBDENUOMJI-IKVQBEAFSA-N
MW164.25 g/mol
LogP2.30
Rot. Bonds4

About N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide

N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide (PubChem CID 126593765) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide
PubChem CID126593765
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide
SMILESCC(C)/C=C/C=C/C(=NC=N)C
InChIInChI=1S/C10H16N2/c1-9(2)6-4-5-7-10(3)12-8-11/h4-9,11H,1-3H3/b6-4+,7-5+,11-8?,12-10?
InChIKeyOVLABBDENUOMJI-IKVQBEAFSA-N
XLogP2.30
TPSA36.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity210

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.30
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-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 87693670
N-[(Z)-2-methylhex-4-en-3-ylidene]methanimidamide
CID 88580454
2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine
CID 91452007
1-[(3Z)-3-methylhepta-3,5-dien-2-ylidene]guanidine
CID 123634847
(2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide
CID 126593691
ethane;N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 143028348
N-[(Z)-5-methylhex-3-en-2-ylidene]methanimidamide
CID 143042176
ethane;N-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]-N'-methylmethanimidamide
CID 143085250
ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide
CID 143839166
N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane
CID 144881614
1-[(3Z,5Z)-3-methylhepta-3,5-dien-2-ylidene]guanidine
CID 146779452
ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide
CID 155574635

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide?
The IUPAC name of N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide (CID 126593765) is N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide.
What is the SMILES notation for N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide?
The canonical SMILES for N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide is CC(C)/C=C/C=C/C(=NC=N)C.
What is the InChIKey of N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide?
The InChIKey is OVLABBDENUOMJI-IKVQBEAFSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2)6-4-5-7-10(3)12-8-11/h4-9,11H,1-3H3/b6-4+,7-5+,11-8?,12-10?.
What are the key properties of N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide?
N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-7-methylocta-3,5-dien-2-ylidene]methanimidamide is sourced from PubChem (CID 126593765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).