ethane;N'-prop-1-en-2-ylmethanimidamide

C6H14N2 — CID 164916577

IUPACethane;N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N.CC
InChIInChI=1S/C4H8N2.C2H6/c1-4(2)6-3-5;1-2/h3H,1H2,2H3,(H2,5,6);1-2H3
InChIKeyLHHUDWFLNMLQAI-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.53
Rot. Bonds1

About ethane;N'-prop-1-en-2-ylmethanimidamide

ethane;N'-prop-1-en-2-ylmethanimidamide (PubChem CID 164916577) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is ethane;N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound Nameethane;N'-prop-1-en-2-ylmethanimidamide
PubChem CID164916577
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Nameethane;N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N.CC
InChIInChI=1S/C4H8N2.C2H6/c1-4(2)6-3-5;1-2/h3H,1H2,2H3,(H2,5,6);1-2H3
InChIKeyLHHUDWFLNMLQAI-UHFFFAOYSA-N
XLogP1.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
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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Related Compounds

(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 89209949
amino N-prop-1-en-2-ylmethanimidate
CID 138459555
N'-(1-chloroethenyl)methanimidamide
CID 123794838
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
CID 89384623
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
N'-(3-methoxyprop-1-en-2-yl)methanimidamide
CID 155723002
N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide
CID 123818085
ethane;tris(2-methylprop-1-ene)
CID 144520420
ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
CID 142804445
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109

Frequently Asked Questions

What is the IUPAC name of ethane;N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of ethane;N'-prop-1-en-2-ylmethanimidamide (CID 164916577) is ethane;N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for ethane;N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for ethane;N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N.CC.
What is the InChIKey of ethane;N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is LHHUDWFLNMLQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.C2H6/c1-4(2)6-3-5;1-2/h3H,1H2,2H3,(H2,5,6);1-2H3.
What are the key properties of ethane;N'-prop-1-en-2-ylmethanimidamide?
ethane;N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 164916577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).