ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide

C10H23N3 — CID 153331511

IUPACethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(N)/C=N/C.CC.CC
InChIInChI=1S/C6H11N3.2C2H6/c1-5(2)9-6(7)4-8-3;2*1-2/h4H,1H2,2-3H3,(H2,7,9);2*1-2H3/b8-4+;;
InChIKeyKULJXCMVAHPAEQ-ZDTICIBISA-N
MW185.31 g/mol
LogP2.63
Rot. Bonds2

About ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide

ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide (PubChem CID 153331511) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Nameethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide
PubChem CID153331511
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Nameethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(N)/C=N/C.CC.CC
InChIInChI=1S/C6H11N3.2C2H6/c1-5(2)9-6(7)4-8-3;2*1-2/h4H,1H2,2-3H3,(H2,7,9);2*1-2H3/b8-4+;;
InChIKeyKULJXCMVAHPAEQ-ZDTICIBISA-N
XLogP2.63
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-Methyl-4-methylideneimidazol-1-ium
CID 91287056
N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 123348821
N'-[1-(propylideneamino)ethenyl]propanimidamide
CID 123863771
N'-[(E)-2-aminoprop-1-enyl]ethanimidamide
CID 126539593
2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608
N-ethylidene-N'-prop-1-en-2-ylethanimidamide
CID 130376868
N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 134408487
N'-[(Z)-1-aminoprop-1-en-2-yl]ethanimidamide
CID 135244878
N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide
CID 139455759
N'-[(Z)-but-2-en-2-yl]ethanimidamide;ethane
CID 141937188
ethane;(E)-1-(ethylideneamino)prop-1-en-2-amine
CID 141996380
2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane
CID 142050733

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide (CID 153331511) is ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(N)/C=N/C.CC.CC.
What is the InChIKey of ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is KULJXCMVAHPAEQ-ZDTICIBISA-N. The full InChI is InChI=1S/C6H11N3.2C2H6/c1-5(2)9-6(7)4-8-3;2*1-2/h4H,1H2,2-3H3,(H2,7,9);2*1-2H3/b8-4+;;.
What are the key properties of ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide?
ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 185.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 153331511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).