butane;ethane;(Z)-N-methylbut-2-en-1-imine

C13H31N — CID 142272629

IUPACbutane;ethane;(Z)-N-methylbut-2-en-1-imine
SMILESC/C=C\C=N\C.CC.CC.CCCC
InChIInChI=1S/C5H9N.C4H10.2C2H6/c1-3-4-5-6-2;1-3-4-2;2*1-2/h3-5H,1-2H3;3-4H2,1-2H3;2*1-2H3/b4-3-,6-5+;;;
InChIKeyYVQIUEDGWOGQNL-YCTVIKNQSA-N
MW201.40 g/mol
LogP5.12
Rot. Bonds2

About butane;ethane;(Z)-N-methylbut-2-en-1-imine

butane;ethane;(Z)-N-methylbut-2-en-1-imine (PubChem CID 142272629) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is butane;ethane;(Z)-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Namebutane;ethane;(Z)-N-methylbut-2-en-1-imine
PubChem CID142272629
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Namebutane;ethane;(Z)-N-methylbut-2-en-1-imine
SMILESC/C=C\C=N\C.CC.CC.CCCC
InChIInChI=1S/C5H9N.C4H10.2C2H6/c1-3-4-5-6-2;1-3-4-2;2*1-2/h3-5H,1-2H3;3-4H2,1-2H3;2*1-2H3/b4-3-,6-5+;;;
InChIKeyYVQIUEDGWOGQNL-YCTVIKNQSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500201.40
LogP ≤ 55.12
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

N-tert-butyl-3-methylbut-2-en-1-imine
CID 2733563
(E)-N-tert-butylbut-2-en-1-imine
CID 5702557
Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
(Z)-N-tert-butylbut-2-en-1-imine
CID 5356232
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(1E)-N-Methylprop-2-en-1-imine
CID 15361483
2-Aza-2,4,6-heptatriene
CID 59945193
(E)-5-Azahepta-2,4-diene
CID 5463161
(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
CID 6440149
(Z)-N-(fluoromethyl)but-2-en-1-imine
CID 154033399
But-2-enylidene-tert-butyl-amine
CID 243520
N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine
CID 49866444

Frequently Asked Questions

What is the IUPAC name of butane;ethane;(Z)-N-methylbut-2-en-1-imine?
The IUPAC name of butane;ethane;(Z)-N-methylbut-2-en-1-imine (CID 142272629) is butane;ethane;(Z)-N-methylbut-2-en-1-imine.
What is the SMILES notation for butane;ethane;(Z)-N-methylbut-2-en-1-imine?
The canonical SMILES for butane;ethane;(Z)-N-methylbut-2-en-1-imine is C/C=C\C=N\C.CC.CC.CCCC.
What is the InChIKey of butane;ethane;(Z)-N-methylbut-2-en-1-imine?
The InChIKey is YVQIUEDGWOGQNL-YCTVIKNQSA-N. The full InChI is InChI=1S/C5H9N.C4H10.2C2H6/c1-3-4-5-6-2;1-3-4-2;2*1-2/h3-5H,1-2H3;3-4H2,1-2H3;2*1-2H3/b4-3-,6-5+;;;.
What are the key properties of butane;ethane;(Z)-N-methylbut-2-en-1-imine?
butane;ethane;(Z)-N-methylbut-2-en-1-imine has a molecular weight of 201.40 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;(Z)-N-methylbut-2-en-1-imine is sourced from PubChem (CID 142272629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).