ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine

C14H23N — CID 143482492

IUPACethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine
SMILESCC.[H]/N=C/C(C)=C\C(C)=C(C)\C=C/C=C
InChIInChI=1S/C12H17N.C2H6/c1-5-6-7-11(3)12(4)8-10(2)9-13;1-2/h5-9,13H,1H2,2-4H3;1-2H3/b7-6-,10-8-,12-11+,13-9+;
InChIKeyBZXAKRBFWRMXHE-ZTWKQKNMSA-N
MW205.34 g/mol
LogP4.69
Rot. Bonds4

About ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine

ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine (PubChem CID 143482492) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Nameethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine
PubChem CID143482492
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine
SMILESCC.[H]/N=C/C(C)=C\C(C)=C(C)\C=C/C=C
InChIInChI=1S/C12H17N.C2H6/c1-5-6-7-11(3)12(4)8-10(2)9-13;1-2/h5-9,13H,1H2,2-4H3;1-2H3/b7-6-,10-8-,12-11+,13-9+;
InChIKeyBZXAKRBFWRMXHE-ZTWKQKNMSA-N
XLogP4.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(3Z)-2-methylidenehexa-3,5-dien-1-imine
CID 145448043
ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine
CID 145093627
2,3-dimethylbutane-2,3-diol;(2Z)-2,4-dimethylpenta-2,4-dien-1-imine
CID 142397669
ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 144508821
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
hydron;(2E,4E,6E)-3-methylnona-2,4,6,8-tetraen-1-imine
CID 102008019
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
hexa-1,3,5-trien-2-yl(trimethyl)azanium
CID 123638146
penta-2,4-dienimidamide
CID 141285400

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine?
The IUPAC name of ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine (CID 143482492) is ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine is CC.[H]/N=C/C(C)=C\C(C)=C(C)\C=C/C=C.
What is the InChIKey of ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine?
The InChIKey is BZXAKRBFWRMXHE-ZTWKQKNMSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-5-6-7-11(3)12(4)8-10(2)9-13;1-2/h5-9,13H,1H2,2-4H3;1-2H3/b7-6-,10-8-,12-11+,13-9+;.
What are the key properties of ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine?
ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 143482492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).