azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne

C24H55N — CID 143376681

IUPACazane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne
SMILESC#CC.C/C=C\C.C=C(C)C/C=C/C.CC.CC.CCC.CCC.N
InChIInChI=1S/C7H12.C4H8.2C3H8.C3H4.2C2H6.H3N/c1-4-5-6-7(2)3;1-3-4-2;3*1-3-2;2*1-2;/h4-5H,2,6H2,1,3H3;3-4H,1-2H3;2*3H2,1-2H3;1H,2H3;2*1-2H3;1H3/b5-4+;4-3-;;;;;;
InChIKeyPCYVSJSBZYQHKC-RJKOXXTJSA-N
MW357.71 g/mol
LogP9.80
Rot. Bonds2

About azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne

azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne (PubChem CID 143376681) has the molecular formula C24H55N and a molecular weight of 357.71 g/mol. Its IUPAC name is azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne.

Molecular Properties

Compound Nameazane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne
PubChem CID143376681
Molecular FormulaC24H55N
Molecular Weight357.71 g/mol
Exact Mass357.43
IUPAC Nameazane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne
SMILESC#CC.C/C=C\C.C=C(C)C/C=C/C.CC.CC.CCC.CCC.N
InChIInChI=1S/C7H12.C4H8.2C3H8.C3H4.2C2H6.H3N/c1-4-5-6-7(2)3;1-3-4-2;3*1-3-2;2*1-2;/h4-5H,2,6H2,1,3H3;3-4H,1-2H3;2*3H2,1-2H3;1H,2H3;2*1-2H3;1H3/b5-4+;4-3-;;;;;;
InChIKeyPCYVSJSBZYQHKC-RJKOXXTJSA-N
XLogP9.80
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.71
LogP ≤ 59.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-methylhexa-1,4-diene
CID 5367524
propane;prop-1-ene;prop-1-yne
CID 144517597
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
2-methyldeca-1,4,6,7-tetraene
CID 123965584
2-methyl-6-methylidenenona-1,4-diene
CID 90971129
(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
CID 144526797
(E)-2-methylidenehex-4-en-1-ol
CID 15564150
(3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene
CID 143057094
2-methylhexa-1,4-dien-1-one
CID 91379778

Frequently Asked Questions

What is the IUPAC name of azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne?
The IUPAC name of azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne (CID 143376681) is azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne.
What is the SMILES notation for azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne?
The canonical SMILES for azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne is C#CC.C/C=C\C.C=C(C)C/C=C/C.CC.CC.CCC.CCC.N.
What is the InChIKey of azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne?
The InChIKey is PCYVSJSBZYQHKC-RJKOXXTJSA-N. The full InChI is InChI=1S/C7H12.C4H8.2C3H8.C3H4.2C2H6.H3N/c1-4-5-6-7(2)3;1-3-4-2;3*1-3-2;2*1-2;/h4-5H,2,6H2,1,3H3;3-4H,1-2H3;2*3H2,1-2H3;1H,2H3;2*1-2H3;1H3/b5-4+;4-3-;;;;;;.
What are the key properties of azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne?
azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne has a molecular weight of 357.71 g/mol, XLogP of 9.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne is sourced from PubChem (CID 143376681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).