ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine

C12H30N2 — CID 144528031

IUPACethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine
SMILESCC.CC.CC.CCC(=C/N)/C=N/C
InChIInChI=1S/C6H12N2.3C2H6/c1-3-6(4-7)5-8-2;3*1-2/h4-5H,3,7H2,1-2H3;3*1-2H3/b6-4-,8-5+;;;
InChIKeyGFKYNENCOWHOGH-GDQRQIQXSA-N
MW202.39 g/mol
LogP4.02
Rot. Bonds2

About ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine

ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine (PubChem CID 144528031) has the molecular formula C12H30N2 and a molecular weight of 202.39 g/mol. Its IUPAC name is ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine
PubChem CID144528031
Molecular FormulaC12H30N2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Nameethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine
SMILESCC.CC.CC.CCC(=C/N)/C=N/C
InChIInChI=1S/C6H12N2.3C2H6/c1-3-6(4-7)5-8-2;3*1-2/h4-5H,3,7H2,1-2H3;3*1-2H3/b6-4-,8-5+;;;
InChIKeyGFKYNENCOWHOGH-GDQRQIQXSA-N
XLogP4.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 54.02
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)-2-(methyliminomethyl)but-1-en-1-amine?
The IUPAC name of ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine (CID 144528031) is ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine?
The canonical SMILES for ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine is CC.CC.CC.CCC(=C/N)/C=N/C.
What is the InChIKey of ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine?
The InChIKey is GFKYNENCOWHOGH-GDQRQIQXSA-N. The full InChI is InChI=1S/C6H12N2.3C2H6/c1-3-6(4-7)5-8-2;3*1-2/h4-5H,3,7H2,1-2H3;3*1-2H3/b6-4-,8-5+;;;.
What are the key properties of ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine?
ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine has a molecular weight of 202.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(methyliminomethyl)but-1-en-1-amine is sourced from PubChem (CID 144528031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).