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

C16H37N — CID 145149803

IUPACbutane;ethane;N-ethenylbut-3-en-2-imine
SMILESC=C/N=C(\C)C=C.CC.CC.CC.CCCC
InChIInChI=1S/C6H9N.C4H10.3C2H6/c1-4-6(3)7-5-2;1-3-4-2;3*1-2/h4-5H,1-2H2,3H3;3-4H2,1-2H3;3*1-2H3/b7-6+;;;;
InChIKeyVLEZTRZXFNNAKP-MNPOOLNOSA-N
MW243.48 g/mol
LogP6.66
Rot. Bonds3

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

butane;ethane;N-ethenylbut-3-en-2-imine (PubChem CID 145149803) has the molecular formula C16H37N and a molecular weight of 243.48 g/mol. Its IUPAC name is butane;ethane;N-ethenylbut-3-en-2-imine.

Molecular Properties

Compound Namebutane;ethane;N-ethenylbut-3-en-2-imine
PubChem CID145149803
Molecular FormulaC16H37N
Molecular Weight243.48 g/mol
Exact Mass243.29
IUPAC Namebutane;ethane;N-ethenylbut-3-en-2-imine
SMILESC=C/N=C(\C)C=C.CC.CC.CC.CCCC
InChIInChI=1S/C6H9N.C4H10.3C2H6/c1-4-6(3)7-5-2;1-3-4-2;3*1-2/h4-5H,1-2H2,3H3;3-4H2,1-2H3;3*1-2H3/b7-6+;;;;
InChIKeyVLEZTRZXFNNAKP-MNPOOLNOSA-N
XLogP6.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.48
LogP ≤ 56.66
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;N-ethenylpent-1-en-3-imine
CID 143591103
ethane;ethyl N-ethenylethanimidothioate
CID 143602053
(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
CID 166958594
ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
CID 156743916
2-(but-3-en-2-ylideneamino)ethenamine
CID 146739321
2-(but-3-en-2-ylideneamino)ethene-1,1-diamine
CID 126596280
butane;ethane;2-methylprop-1-ene
CID 142168819
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine
CID 134253328
ethyl N-ethenylprop-2-enimidate
CID 143813400
butane;ethane;propane;prop-1-ene
CID 143366707
butane;ethane;ethene;prop-1-ene
CID 144524801

Frequently Asked Questions

What is the IUPAC name of butane;ethane;N-ethenylbut-3-en-2-imine?
The IUPAC name of butane;ethane;N-ethenylbut-3-en-2-imine (CID 145149803) is butane;ethane;N-ethenylbut-3-en-2-imine.
What is the SMILES notation for butane;ethane;N-ethenylbut-3-en-2-imine?
The canonical SMILES for butane;ethane;N-ethenylbut-3-en-2-imine is C=C/N=C(\C)C=C.CC.CC.CC.CCCC.
What is the InChIKey of butane;ethane;N-ethenylbut-3-en-2-imine?
The InChIKey is VLEZTRZXFNNAKP-MNPOOLNOSA-N. The full InChI is InChI=1S/C6H9N.C4H10.3C2H6/c1-4-6(3)7-5-2;1-3-4-2;3*1-2/h4-5H,1-2H2,3H3;3-4H2,1-2H3;3*1-2H3/b7-6+;;;;.
What are the key properties of butane;ethane;N-ethenylbut-3-en-2-imine?
butane;ethane;N-ethenylbut-3-en-2-imine has a molecular weight of 243.48 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;N-ethenylbut-3-en-2-imine is sourced from PubChem (CID 145149803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).