N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide

C19H36N2 — CID 123287129

IUPACN'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=CC(C)CC)CCCC(C)CCCCCC
InChIInChI=1S/C19H36N2/c1-6-8-9-10-12-18(4)13-11-14-19(21-16-20-5)15-17(3)7-2/h15-18H,5-14H2,1-4H3/b19-15?,21-16+
InChIKeyIFKNWKMXZXERMM-NCAPRPGDSA-N
MW292.51 g/mol
LogP6.42
Rot. Bonds13

About N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide

N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide (PubChem CID 123287129) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide
PubChem CID123287129
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=CC(C)CC)CCCC(C)CCCCCC
InChIInChI=1S/C19H36N2/c1-6-8-9-10-12-18(4)13-11-14-19(21-16-20-5)15-17(3)7-2/h15-18H,5-14H2,1-4H3/b19-15?,21-16+
InChIKeyIFKNWKMXZXERMM-NCAPRPGDSA-N
XLogP6.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.42
H-Bond Donors ≤ 50
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'}

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Related Compounds

6-(3,8-dimethyldecan-5-yl)-1,3-dimethyl-4-propan-2-yl-4H-pyrimidin-3-ium
CID 91006323
N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine
CID 123928685
N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide
CID 129033729
N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide
CID 155273951

Frequently Asked Questions

What is the IUPAC name of N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide?
The IUPAC name of N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide (CID 123287129) is N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide.
What is the SMILES notation for N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide?
The canonical SMILES for N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide is C=N/C=N/C(=CC(C)CC)CCCC(C)CCCCCC.
What is the InChIKey of N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide?
The InChIKey is IFKNWKMXZXERMM-NCAPRPGDSA-N. The full InChI is InChI=1S/C19H36N2/c1-6-8-9-10-12-18(4)13-11-14-19(21-16-20-5)15-17(3)7-2/h15-18H,5-14H2,1-4H3/b19-15?,21-16+.
What are the key properties of N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide?
N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide has a molecular weight of 292.51 g/mol, XLogP of 6.42, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,9-dimethylpentadec-4-en-5-yl)-N-methylidenemethanimidamide is sourced from PubChem (CID 123287129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).