N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide

C16H26N2 — CID 123679921

IUPACN-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
SMILESC=C(/C=C/CCC=C(C)C)N/C=N/C(C)=CCC
InChIInChI=1S/C16H26N2/c1-6-10-15(4)17-13-18-16(5)12-9-7-8-11-14(2)3/h9-13H,5-8H2,1-4H3,(H,17,18)/b12-9+,15-10?
InChIKeyCCCYKSYLESECJK-XONBKLNWSA-N
MW246.40 g/mol
LogP4.73
Rot. Bonds8

About N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide

N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide (PubChem CID 123679921) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
PubChem CID123679921
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
SMILESC=C(/C=C/CCC=C(C)C)N/C=N/C(C)=CCC
InChIInChI=1S/C16H26N2/c1-6-10-15(4)17-13-18-16(5)12-9-7-8-11-14(2)3/h9-13H,5-8H2,1-4H3,(H,17,18)/b12-9+,15-10?
InChIKeyCCCYKSYLESECJK-XONBKLNWSA-N
XLogP4.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
CID 166838186
(3E,5E)-8-[(7E,9Z)-4-fluoro-1,6-dihydro-1,3-diazecin-10-yl]-N,N,6-trimethylocta-1,3,5-trien-7-yn-3-amine
CID 173891243
N-[(4Z,6E)-12-fluoro-9-methylidene-6-propyldodeca-4,6-dien-5-yl]-N'-methylmethanimidamide
CID 174078585
N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide
CID 144415055
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
CID 91311689
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 123298095
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide?
The IUPAC name of N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide (CID 123679921) is N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide.
What is the SMILES notation for N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide?
The canonical SMILES for N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide is C=C(/C=C/CCC=C(C)C)N/C=N/C(C)=CCC.
What is the InChIKey of N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide?
The InChIKey is CCCYKSYLESECJK-XONBKLNWSA-N. The full InChI is InChI=1S/C16H26N2/c1-6-10-15(4)17-13-18-16(5)12-9-7-8-11-14(2)3/h9-13H,5-8H2,1-4H3,(H,17,18)/b12-9+,15-10?.
What are the key properties of N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide?
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide has a molecular weight of 246.40 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide is sourced from PubChem (CID 123679921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).