N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide

C11H16N2 — CID 123986247

IUPACN-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide
SMILESC=N/C=N/C(=C)C(C)=CC=CCC
InChIInChI=1S/C11H16N2/c1-5-6-7-8-10(2)11(3)13-9-12-4/h6-9H,3-5H2,1-2H3/b7-6?,10-8?,13-9+
InChIKeyBZQAHSRSPPXXSH-GOAIXPIGSA-N
MW176.26 g/mol
LogP3.14
Rot. Bonds5

About N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide

N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide (PubChem CID 123986247) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide
PubChem CID123986247
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide
SMILESC=N/C=N/C(=C)C(C)=CC=CCC
InChIInChI=1S/C11H16N2/c1-5-6-7-8-10(2)11(3)13-9-12-4/h6-9H,3-5H2,1-2H3/b7-6?,10-8?,13-9+
InChIKeyBZQAHSRSPPXXSH-GOAIXPIGSA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
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'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
CID 88885628
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
CID 90684755
N-[3-but-1-enyl-2-(methylideneamino)hepta-1,3,5-trienyl]methanimine
CID 91282112
(4E,5E)-4-ethylidene-5-prop-2-enylidenepyrimidine
CID 117650593
N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
CID 123154101
N-(8-methyl-6-methylidenenona-2,4,8-trien-3-yl)methanimine
CID 123351664
N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine
CID 123924179
N'-[(3E,5Z)-nona-3,5,7-trien-3-yl]methanimidamide
CID 123925467
N'-[(3Z)-5-methylhexa-1,3-dien-2-yl]methanimidamide
CID 124029099

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide?
The IUPAC name of N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide (CID 123986247) is N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide.
What is the SMILES notation for N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide?
The canonical SMILES for N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide is C=N/C=N/C(=C)C(C)=CC=CCC.
What is the InChIKey of N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide?
The InChIKey is BZQAHSRSPPXXSH-GOAIXPIGSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-6-7-8-10(2)11(3)13-9-12-4/h6-9H,3-5H2,1-2H3/b7-6?,10-8?,13-9+.
What are the key properties of N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide?
N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide has a molecular weight of 176.26 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide is sourced from PubChem (CID 123986247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).