N-[(E)-but-2-en-2-yl]methanimine;ethane

C9H21N — CID 145473397

IUPACN-[(E)-but-2-en-2-yl]methanimine;ethane
SMILESC=N/C(C)=C/C.CC.CC
InChIInChI=1S/C5H9N.2C2H6/c1-4-5(2)6-3;2*1-2/h4H,3H2,1-2H3;2*1-2H3/b5-4+;;
InChIKeyBZGRPXNRVNUZOE-SFKRKKMESA-N
MW143.27 g/mol
LogP3.66
Rot. Bonds1

About N-[(E)-but-2-en-2-yl]methanimine;ethane

N-[(E)-but-2-en-2-yl]methanimine;ethane (PubChem CID 145473397) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]methanimine;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]methanimine;ethane
PubChem CID145473397
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-[(E)-but-2-en-2-yl]methanimine;ethane
SMILESC=N/C(C)=C/C.CC.CC
InChIInChI=1S/C5H9N.2C2H6/c1-4-5(2)6-3;2*1-2/h4H,3H2,1-2H3;2*1-2H3/b5-4+;;
InChIKeyBZGRPXNRVNUZOE-SFKRKKMESA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
CID 142804445
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
CID 174135156
CID 174135156
(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine
CID 142112533
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
CID 90369842
N-[(Z)-1-methoxyprop-1-enyl]methanimine
CID 144898882
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
CID 167253000

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]methanimine;ethane?
The IUPAC name of N-[(E)-but-2-en-2-yl]methanimine;ethane (CID 145473397) is N-[(E)-but-2-en-2-yl]methanimine;ethane.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]methanimine;ethane?
The canonical SMILES for N-[(E)-but-2-en-2-yl]methanimine;ethane is C=N/C(C)=C/C.CC.CC.
What is the InChIKey of N-[(E)-but-2-en-2-yl]methanimine;ethane?
The InChIKey is BZGRPXNRVNUZOE-SFKRKKMESA-N. The full InChI is InChI=1S/C5H9N.2C2H6/c1-4-5(2)6-3;2*1-2/h4H,3H2,1-2H3;2*1-2H3/b5-4+;;.
What are the key properties of N-[(E)-but-2-en-2-yl]methanimine;ethane?
N-[(E)-but-2-en-2-yl]methanimine;ethane has a molecular weight of 143.27 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]methanimine;ethane is sourced from PubChem (CID 145473397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).