N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide

C8H14N2 — CID 142207625

IUPACN-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide
SMILESC=C(/N=C/N=C/C)C(C)C
InChIInChI=1S/C8H14N2/c1-5-9-6-10-8(4)7(2)3/h5-7H,4H2,1-3H3/b9-5+,10-6+
InChIKeyGEPHLBARCRUSRL-NXZHAISVSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds3

About N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide

N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide (PubChem CID 142207625) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide
PubChem CID142207625
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide
SMILESC=C(/N=C/N=C/C)C(C)C
InChIInChI=1S/C8H14N2/c1-5-9-6-10-8(4)7(2)3/h5-7H,4H2,1-3H3/b9-5+,10-6+
InChIKeyGEPHLBARCRUSRL-NXZHAISVSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
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-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide?
The IUPAC name of N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide (CID 142207625) is N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide.
What is the SMILES notation for N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide?
The canonical SMILES for N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide is C=C(/N=C/N=C/C)C(C)C.
What is the InChIKey of N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide?
The InChIKey is GEPHLBARCRUSRL-NXZHAISVSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-9-6-10-8(4)7(2)3/h5-7H,4H2,1-3H3/b9-5+,10-6+.
What are the key properties of N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide?
N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-(3-methylbut-1-en-2-yl)methanimidamide is sourced from PubChem (CID 142207625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).