ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene

C26H55N — CID 142338217

IUPACethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene
SMILESC=CC(C)C=CC(C)C(C)/C=C\C.C=NC(C)C.CC.CC(C)C.CCC
InChIInChI=1S/C13H22.C4H9N.C4H10.C3H8.C2H6/c1-6-8-12(4)13(5)10-9-11(3)7-2;1-4(2)5-3;1-4(2)3;1-3-2;1-2/h6-13H,2H2,1,3-5H3;4H,3H2,1-2H3;4H,1-3H3;3H2,1-2H3;1-2H3/b8-6-,10-9?;;;;
InChIKeySDUWOIWTCHFQPG-UADBBMRDSA-N
MW381.73 g/mol
LogP9.41
Rot. Bonds6

About ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene

ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene (PubChem CID 142338217) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene.

Molecular Properties

Compound Nameethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene
PubChem CID142338217
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC Nameethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene
SMILESC=CC(C)C=CC(C)C(C)/C=C\C.C=NC(C)C.CC.CC(C)C.CCC
InChIInChI=1S/C13H22.C4H9N.C4H10.C3H8.C2H6/c1-6-8-12(4)13(5)10-9-11(3)7-2;1-4(2)5-3;1-4(2)3;1-3-2;1-2/h6-13H,2H2,1,3-5H3;4H,3H2,1-2H3;4H,1-3H3;3H2,1-2H3;1-2H3/b8-6-,10-9?;;;;
InChIKeySDUWOIWTCHFQPG-UADBBMRDSA-N
XLogP9.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene?
The IUPAC name of ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene (CID 142338217) is ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene.
What is the SMILES notation for ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene?
The canonical SMILES for ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene is C=CC(C)C=CC(C)C(C)/C=C\C.C=NC(C)C.CC.CC(C)C.CCC.
What is the InChIKey of ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene?
The InChIKey is SDUWOIWTCHFQPG-UADBBMRDSA-N. The full InChI is InChI=1S/C13H22.C4H9N.C4H10.C3H8.C2H6/c1-6-8-12(4)13(5)10-9-11(3)7-2;1-4(2)5-3;1-4(2)3;1-3-2;1-2/h6-13H,2H2,1,3-5H3;4H,3H2,1-2H3;4H,1-3H3;3H2,1-2H3;1-2H3/b8-6-,10-9?;;;;.
What are the key properties of ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene?
ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene has a molecular weight of 381.73 g/mol, XLogP of 9.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;propane;N-propan-2-ylmethanimine;(8Z)-3,6,7-trimethyldeca-1,4,8-triene is sourced from PubChem (CID 142338217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).