N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide

C17H30N2 — CID 123795759

IUPACN'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide
SMILESC=C(C1CC(C(C)CC=CCC)C1)N(C)/C=N/CC
InChIInChI=1S/C17H30N2/c1-6-8-9-10-14(3)16-11-17(12-16)15(4)19(5)13-18-7-2/h8-9,13-14,16-17H,4,6-7,10-12H2,1-3,5H3/b9-8?,18-13+
InChIKeyQAIZRYMNCWBTAJ-VMTPIEBZSA-N
MW262.44 g/mol
LogP4.50
Rot. Bonds8

About N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide

N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide (PubChem CID 123795759) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide
PubChem CID123795759
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide
SMILESC=C(C1CC(C(C)CC=CCC)C1)N(C)/C=N/CC
InChIInChI=1S/C17H30N2/c1-6-8-9-10-14(3)16-11-17(12-16)15(4)19(5)13-18-7-2/h8-9,13-14,16-17H,4,6-7,10-12H2,1-3,5H3/b9-8?,18-13+
InChIKeyQAIZRYMNCWBTAJ-VMTPIEBZSA-N
XLogP4.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.50
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'}, {'alert_name': 'isolated_alkene', '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

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide?
The IUPAC name of N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide (CID 123795759) is N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide.
What is the SMILES notation for N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide?
The canonical SMILES for N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide is C=C(C1CC(C(C)CC=CCC)C1)N(C)/C=N/CC.
What is the InChIKey of N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide?
The InChIKey is QAIZRYMNCWBTAJ-VMTPIEBZSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-8-9-10-14(3)16-11-17(12-16)15(4)19(5)13-18-7-2/h8-9,13-14,16-17H,4,6-7,10-12H2,1-3,5H3/b9-8?,18-13+.
What are the key properties of N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide?
N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide has a molecular weight of 262.44 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[1-(3-hept-4-en-2-ylcyclobutyl)ethenyl]-N-methylmethanimidamide is sourced from PubChem (CID 123795759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).