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

C8H21N3 — CID 142054627

IUPACethane;methanamine;N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(\C)N.CC.CN
InChIInChI=1S/C5H10N2.C2H6.CH5N/c1-4(2)7-5(3)6;2*1-2/h1H2,2-3H3,(H2,6,7);1-2H3;2H2,1H3
InChIKeyDLNOMAOXGGTSKH-UHFFFAOYSA-N
MW159.28 g/mol
LogP1.50
Rot. Bonds1

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

ethane;methanamine;N'-prop-1-en-2-ylethanimidamide (PubChem CID 142054627) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is ethane;methanamine;N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Nameethane;methanamine;N'-prop-1-en-2-ylethanimidamide
PubChem CID142054627
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Nameethane;methanamine;N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(\C)N.CC.CN
InChIInChI=1S/C5H10N2.C2H6.CH5N/c1-4(2)7-5(3)6;2*1-2/h1H2,2-3H3,(H2,6,7);1-2H3;2H2,1H3
InChIKeyDLNOMAOXGGTSKH-UHFFFAOYSA-N
XLogP1.50
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.50
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'}

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Related Compounds

N'-prop-1-en-2-ylethanimidamide
CID 91563328
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
CID 123307868
N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 123348821
N'-[(E)-2-aminoprop-1-enyl]ethanimidamide
CID 126539593
2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608
N'-prop-1-en-2-ylpropanimidamide
CID 132181307
N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
CID 134366012
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]ethanimidamide;ethane
CID 141937188
2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane
CID 142050733

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of ethane;methanamine;N'-prop-1-en-2-ylethanimidamide (CID 142054627) is ethane;methanamine;N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for ethane;methanamine;N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for ethane;methanamine;N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(\C)N.CC.CN.
What is the InChIKey of ethane;methanamine;N'-prop-1-en-2-ylethanimidamide?
The InChIKey is DLNOMAOXGGTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C2H6.CH5N/c1-4(2)7-5(3)6;2*1-2/h1H2,2-3H3,(H2,6,7);1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;N'-prop-1-en-2-ylethanimidamide?
ethane;methanamine;N'-prop-1-en-2-ylethanimidamide has a molecular weight of 159.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 142054627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).