ethane;(Z)-3-methyliminoprop-1-en-1-amine

C8H20N2 — CID 142619513

IUPACethane;(Z)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C\N.CC.CC
InChIInChI=1S/C4H8N2.2C2H6/c1-6-4-2-3-5;2*1-2/h2-4H,5H2,1H3;2*1-2H3/b3-2-,6-4+;;
InChIKeyDVUGYXGGGHPVCW-JVUAYVPASA-N
MW144.26 g/mol
LogP2.21
Rot. Bonds1

About ethane;(Z)-3-methyliminoprop-1-en-1-amine

ethane;(Z)-3-methyliminoprop-1-en-1-amine (PubChem CID 142619513) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;(Z)-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-methyliminoprop-1-en-1-amine
PubChem CID142619513
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Nameethane;(Z)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C\N.CC.CC
InChIInChI=1S/C4H8N2.2C2H6/c1-6-4-2-3-5;2*1-2/h2-4H,5H2,1H3;2*1-2H3/b3-2-,6-4+;;
InChIKeyDVUGYXGGGHPVCW-JVUAYVPASA-N
XLogP2.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-methyliminoprop-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-methyliminoprop-1-en-1-amine (CID 142619513) is ethane;(Z)-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-methyliminoprop-1-en-1-amine is C/N=C/C=C\N.CC.CC.
What is the InChIKey of ethane;(Z)-3-methyliminoprop-1-en-1-amine?
The InChIKey is DVUGYXGGGHPVCW-JVUAYVPASA-N. The full InChI is InChI=1S/C4H8N2.2C2H6/c1-6-4-2-3-5;2*1-2/h2-4H,5H2,1H3;2*1-2H3/b3-2-,6-4+;;.
What are the key properties of ethane;(Z)-3-methyliminoprop-1-en-1-amine?
ethane;(Z)-3-methyliminoprop-1-en-1-amine has a molecular weight of 144.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 142619513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).