N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide

C14H24N2 — CID 155728551

IUPACN'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide
SMILESC/C=C(\C=C/C(C)=C/CC)C(C)/N=C(\C)N
InChIInChI=1S/C14H24N2/c1-6-8-11(3)9-10-14(7-2)12(4)16-13(5)15/h7-10,12H,6H2,1-5H3,(H2,15,16)/b10-9-,11-8+,14-7+
InChIKeyDITJWRPQTZNXEJ-HCGQQDPLSA-N
MW220.36 g/mol
LogP3.61
Rot. Bonds5

About N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide

N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide (PubChem CID 155728551) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide
PubChem CID155728551
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide
SMILESC/C=C(\C=C/C(C)=C/CC)C(C)/N=C(\C)N
InChIInChI=1S/C14H24N2/c1-6-8-11(3)9-10-14(7-2)12(4)16-13(5)15/h7-10,12H,6H2,1-5H3,(H2,15,16)/b10-9-,11-8+,14-7+
InChIKeyDITJWRPQTZNXEJ-HCGQQDPLSA-N
XLogP3.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.61
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'-[(2Z,3Z,5E)-5-fluoro-3-methyl-2-propylidenehepta-3,5-dienyl]ethanimidamide
CID 155728810
N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide
CID 155728900
N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide
CID 155728926
2,6-dimethyl-2H-azepin-7-amine
CID 57119104
N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide
CID 59072782
N'-[(Z)-6-amino-6-methylhept-3-enyl]ethanimidamide
CID 59906751
7-Methyl-6,7-dihydro-1,8-naphthyridin-2-amine
CID 89038587
7aH-indol-2-amine
CID 89673272
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
N',4-dimethylpenta-2,4-dienimidamide
CID 123250461
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
2-(4-Methylcyclohexa-2,4-dien-1-yl)guanidine
CID 123579693

Frequently Asked Questions

What is the IUPAC name of N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide (CID 155728551) is N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide is C/C=C(\C=C/C(C)=C/CC)C(C)/N=C(\C)N.
What is the InChIKey of N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide?
The InChIKey is DITJWRPQTZNXEJ-HCGQQDPLSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-8-11(3)9-10-14(7-2)12(4)16-13(5)15/h7-10,12H,6H2,1-5H3,(H2,15,16)/b10-9-,11-8+,14-7+.
What are the key properties of N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide?
N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide has a molecular weight of 220.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E,4Z,6E)-3-ethylidene-6-methylnona-4,6-dien-2-yl]ethanimidamide is sourced from PubChem (CID 155728551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).