(2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide

C8H14ClN3 — CID 173483684

IUPAC(2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide
SMILESC=C(Cl)N=C(N)/C(=C\N)C(C)C
InChIInChI=1S/C8H14ClN3/c1-5(2)7(4-10)8(11)12-6(3)9/h4-5H,3,10H2,1-2H3,(H2,11,12)/b7-4-
InChIKeyOJCUKBYCMYVJBS-DAXSKMNVSA-N
MW187.67 g/mol
LogP1.55
Rot. Bonds3

About (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide

(2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide (PubChem CID 173483684) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide
PubChem CID173483684
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name(2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide
SMILESC=C(Cl)N=C(N)/C(=C\N)C(C)C
InChIInChI=1S/C8H14ClN3/c1-5(2)7(4-10)8(11)12-6(3)9/h4-5H,3,10H2,1-2H3,(H2,11,12)/b7-4-
InChIKeyOJCUKBYCMYVJBS-DAXSKMNVSA-N
XLogP1.55
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-2-[N'-(1-chloroethenyl)carbamimidoyl]prop-2-enoic acid
CID 173483305
(2Z)-2-(aminomethylidene)-3-methylbutanimidamide
CID 136607996
2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride
CID 147306401
N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide
CID 166933258
2-(3-methylbut-1-en-2-yl)guanidine
CID 129238446
(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide
CID 153364034
ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
CID 168977027
N'-(1-chloroethenyl)methanimidamide
CID 123794838
(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
CID 89384623
N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride
CID 163929653
(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride
CID 173022754
2-methylpropane;prop-1-en-2-amine
CID 174893746

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide?
The IUPAC name of (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide (CID 173483684) is (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide.
What is the SMILES notation for (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide?
The canonical SMILES for (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide is C=C(Cl)N=C(N)/C(=C\N)C(C)C.
What is the InChIKey of (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide?
The InChIKey is OJCUKBYCMYVJBS-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-5(2)7(4-10)8(11)12-6(3)9/h4-5H,3,10H2,1-2H3,(H2,11,12)/b7-4-.
What are the key properties of (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide?
(2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide has a molecular weight of 187.67 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)-N'-(1-chloroethenyl)-3-methylbutanimidamide is sourced from PubChem (CID 173483684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).