N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide

C20H32N2 — CID 170186957

IUPACN'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C1=C(C)C=CC(C)(C(CC)CCCCCC)C=C1
InChIInChI=1S/C20H32N2/c1-6-8-9-10-11-18(7-2)20(4)14-12-17(3)19(13-15-20)22-16-21-5/h12-16,18H,5-11H2,1-4H3/b22-16+
InChIKeyYQWAQDCUZOFHOX-CJLVFECKSA-N
MW300.49 g/mol
LogP6.12
Rot. Bonds9

About N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide

N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide (PubChem CID 170186957) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide
PubChem CID170186957
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC NameN'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C1=C(C)C=CC(C)(C(CC)CCCCCC)C=C1
InChIInChI=1S/C20H32N2/c1-6-8-9-10-11-18(7-2)20(4)14-12-17(3)19(13-15-20)22-16-21-5/h12-16,18H,5-11H2,1-4H3/b22-16+
InChIKeyYQWAQDCUZOFHOX-CJLVFECKSA-N
XLogP6.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.12
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'}

Analyze N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide with MolForge

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Related Compounds

7-decan-2-yl-7-methylbenzo[7]annulene
CID 142436722
1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane
CID 123606512
4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide
CID 140569211
3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene
CID 143372820
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
3-ethylpentacosane
CID 22224239
hexadecane-6,7-diamine
CID 57245820
9,10-diethyloctadecane
CID 530164
3-ethylicosane
CID 528487
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
hexacosane-1,1-diamine
CID 137375175

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide?
The IUPAC name of N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide (CID 170186957) is N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide.
What is the SMILES notation for N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide?
The canonical SMILES for N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide is C=N/C=N/C1=C(C)C=CC(C)(C(CC)CCCCCC)C=C1.
What is the InChIKey of N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide?
The InChIKey is YQWAQDCUZOFHOX-CJLVFECKSA-N. The full InChI is InChI=1S/C20H32N2/c1-6-8-9-10-11-18(7-2)20(4)14-12-17(3)19(13-15-20)22-16-21-5/h12-16,18H,5-11H2,1-4H3/b22-16+.
What are the key properties of N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide?
N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide has a molecular weight of 300.49 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethyl-5-nonan-3-ylcyclohepta-1,3,6-trien-1-yl)-N-methylidenemethanimidamide is sourced from PubChem (CID 170186957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).