N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide

C10H18N2 — CID 142875289

IUPACN'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CCCC)=C(C)C
InChIInChI=1S/C10H18N2/c1-5-6-7-10(9(2)3)12-8-11-4/h8H,4-7H2,1-3H3/b12-8+
InChIKeyGHZGCQIZNWIKGW-XYOKQWHBSA-N
MW166.27 g/mol
LogP3.20
Rot. Bonds5

About N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide

N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide (PubChem CID 142875289) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide
PubChem CID142875289
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CCCC)=C(C)C
InChIInChI=1S/C10H18N2/c1-5-6-7-10(9(2)3)12-8-11-4/h8H,4-7H2,1-3H3/b12-8+
InChIKeyGHZGCQIZNWIKGW-XYOKQWHBSA-N
XLogP3.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.20
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide?
The IUPAC name of N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide (CID 142875289) is N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide.
What is the SMILES notation for N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide?
The canonical SMILES for N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide is C=N/C=N/C(CCCC)=C(C)C.
What is the InChIKey of N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide?
The InChIKey is GHZGCQIZNWIKGW-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-7-10(9(2)3)12-8-11-4/h8H,4-7H2,1-3H3/b12-8+.
What are the key properties of N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide?
N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide is sourced from PubChem (CID 142875289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).