ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane

C15H30N2 — CID 170785783

IUPACethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane
SMILESC.C=C/C=C1C(=C/C)\CNCN\1C(C)C.CC
InChIInChI=1S/C12H20N2.C2H6.CH4/c1-5-7-12-11(6-2)8-13-9-14(12)10(3)4;1-2;/h5-7,10,13H,1,8-9H2,2-4H3;1-2H3;1H4/b11-6-,12-7+;;
InChIKeySKGSSBNMTZOYIT-NWZOJWINSA-N
MW238.42 g/mol
LogP3.94
Rot. Bonds2

About ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane

ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane (PubChem CID 170785783) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane.

Molecular Properties

Compound Nameethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane
PubChem CID170785783
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane
SMILESC.C=C/C=C1C(=C/C)\CNCN\1C(C)C.CC
InChIInChI=1S/C12H20N2.C2H6.CH4/c1-5-7-12-11(6-2)8-13-9-14(12)10(3)4;1-2;/h5-7,10,13H,1,8-9H2,2-4H3;1-2H3;1H4/b11-6-,12-7+;;
InChIKeySKGSSBNMTZOYIT-NWZOJWINSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane?
The IUPAC name of ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane (CID 170785783) is ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane.
What is the SMILES notation for ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane?
The canonical SMILES for ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane is C.C=C/C=C1C(=C/C)\CNCN\1C(C)C.CC.
What is the InChIKey of ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane?
The InChIKey is SKGSSBNMTZOYIT-NWZOJWINSA-N. The full InChI is InChI=1S/C12H20N2.C2H6.CH4/c1-5-7-12-11(6-2)8-13-9-14(12)10(3)4;1-2;/h5-7,10,13H,1,8-9H2,2-4H3;1-2H3;1H4/b11-6-,12-7+;;.
What are the key properties of ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane?
ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane has a molecular weight of 238.42 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-5-ethylidene-1-propan-2-yl-6-prop-2-enylidene-1,3-diazinane;methane is sourced from PubChem (CID 170785783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).