butane;ethane;N-methylbut-3-en-2-imine

C13H31N — CID 177235637

IUPACbutane;ethane;N-methylbut-3-en-2-imine
SMILESC=C/C(C)=N/C.CC.CC.CCCC
InChIInChI=1S/C5H9N.C4H10.2C2H6/c1-4-5(2)6-3;1-3-4-2;2*1-2/h4H,1H2,2-3H3;3-4H2,1-2H3;2*1-2H3/b6-5+;;;
InChIKeySVHNLQFPRZYFAQ-FWMLTEASSA-N
MW201.40 g/mol
LogP5.12
Rot. Bonds2

About butane;ethane;N-methylbut-3-en-2-imine

butane;ethane;N-methylbut-3-en-2-imine (PubChem CID 177235637) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is butane;ethane;N-methylbut-3-en-2-imine.

Molecular Properties

Compound Namebutane;ethane;N-methylbut-3-en-2-imine
PubChem CID177235637
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Namebutane;ethane;N-methylbut-3-en-2-imine
SMILESC=C/C(C)=N/C.CC.CC.CCCC
InChIInChI=1S/C5H9N.C4H10.2C2H6/c1-4-5(2)6-3;1-3-4-2;2*1-2/h4H,1H2,2-3H3;3-4H2,1-2H3;2*1-2H3/b6-5+;;;
InChIKeySVHNLQFPRZYFAQ-FWMLTEASSA-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

Methanamine, N-(1-methyl-2-propenylidene)-
CID 12307809
N-propan-2-ylbut-3-en-2-imine
CID 13256246
N-methylpent-1-en-3-imine
CID 21718389
1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine;ethane
CID 53965944
N-methylocta-1,2,5-trien-4-imine
CID 91100685
N-methylhexa-1,4,5-trien-3-imine
CID 91450310
N-(2-methylbutan-2-yl)but-3-en-2-imine
CID 123145819
N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine
CID 123171600
N-propylbut-3-en-2-imine
CID 123402465
N-ethylpenta-1,4-dien-3-imine
CID 123426753
(2Z,5Z)-N-methylhepta-2,5-dien-4-imine
CID 123548341
N-butylbut-3-en-2-imine
CID 123746892

Frequently Asked Questions

What is the IUPAC name of butane;ethane;N-methylbut-3-en-2-imine?
The IUPAC name of butane;ethane;N-methylbut-3-en-2-imine (CID 177235637) is butane;ethane;N-methylbut-3-en-2-imine.
What is the SMILES notation for butane;ethane;N-methylbut-3-en-2-imine?
The canonical SMILES for butane;ethane;N-methylbut-3-en-2-imine is C=C/C(C)=N/C.CC.CC.CCCC.
What is the InChIKey of butane;ethane;N-methylbut-3-en-2-imine?
The InChIKey is SVHNLQFPRZYFAQ-FWMLTEASSA-N. The full InChI is InChI=1S/C5H9N.C4H10.2C2H6/c1-4-5(2)6-3;1-3-4-2;2*1-2/h4H,1H2,2-3H3;3-4H2,1-2H3;2*1-2H3/b6-5+;;;.
What are the key properties of butane;ethane;N-methylbut-3-en-2-imine?
butane;ethane;N-methylbut-3-en-2-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;N-methylbut-3-en-2-imine is sourced from PubChem (CID 177235637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).