ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine

C14H29N — CID 145230343

IUPACethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine
SMILESC=C(C)/C=C\C(C)=C(/C)CN.CC.CC
InChIInChI=1S/C10H17N.2C2H6/c1-8(2)5-6-9(3)10(4)7-11;2*1-2/h5-6H,1,7,11H2,2-4H3;2*1-2H3/b6-5-,10-9+;;
InChIKeyCDYDWEDHNDNPTR-GQJQLZFMSA-N
MW211.39 g/mol
LogP4.47
Rot. Bonds3

About ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine

ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine (PubChem CID 145230343) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Nameethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine
PubChem CID145230343
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nameethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine
SMILESC=C(C)/C=C\C(C)=C(/C)CN.CC.CC
InChIInChI=1S/C10H17N.2C2H6/c1-8(2)5-6-9(3)10(4)7-11;2*1-2/h5-6H,1,7,11H2,2-4H3;2*1-2H3/b6-5-,10-9+;;
InChIKeyCDYDWEDHNDNPTR-GQJQLZFMSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 17753774
CID 17753774
4-Ethenylhexa-3,5-dien-1-amine
CID 130019176
3,4-Dihydrobenzylamine
CID 21950499
1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
2-Methylpent-2-en-1-amine
CID 59601793
Lithium 2-(aminomethyl)benzen-1-ide
CID 71345009
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
(2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine
CID 89215158

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine?
The IUPAC name of ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine (CID 145230343) is ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine is C=C(C)/C=C\C(C)=C(/C)CN.CC.CC.
What is the InChIKey of ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine?
The InChIKey is CDYDWEDHNDNPTR-GQJQLZFMSA-N. The full InChI is InChI=1S/C10H17N.2C2H6/c1-8(2)5-6-9(3)10(4)7-11;2*1-2/h5-6H,1,7,11H2,2-4H3;2*1-2H3/b6-5-,10-9+;;.
What are the key properties of ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine?
ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 145230343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).