ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine

C14H23N — CID 142290491

IUPACethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
SMILESC=C/C=C(\CC)C(=C)/C=C\C(=C)N.CC
InChIInChI=1S/C12H17N.C2H6/c1-5-7-12(6-2)10(3)8-9-11(4)13;1-2/h5,7-9H,1,3-4,6,13H2,2H3;1-2H3/b9-8-,12-7+;
InChIKeySFHLMEARNYKIKP-MNRHDEHZSA-N
MW205.34 g/mol
LogP4.12
Rot. Bonds5

About ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine

ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine (PubChem CID 142290491) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine.

Molecular Properties

Compound Nameethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
PubChem CID142290491
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
SMILESC=C/C=C(\CC)C(=C)/C=C\C(=C)N.CC
InChIInChI=1S/C12H17N.C2H6/c1-5-7-12(6-2)10(3)8-9-11(4)13;1-2/h5,7-9H,1,3-4,6,13H2,2H3;1-2H3/b9-8-,12-7+;
InChIKeySFHLMEARNYKIKP-MNRHDEHZSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.12
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

(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane
CID 143388689
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one
CID 134431459
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine?
The IUPAC name of ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine (CID 142290491) is ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine.
What is the SMILES notation for ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine?
The canonical SMILES for ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine is C=C/C=C(\CC)C(=C)/C=C\C(=C)N.CC.
What is the InChIKey of ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine?
The InChIKey is SFHLMEARNYKIKP-MNRHDEHZSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-5-7-12(6-2)10(3)8-9-11(4)13;1-2/h5,7-9H,1,3-4,6,13H2,2H3;1-2H3/b9-8-,12-7+;.
What are the key properties of ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine?
ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine has a molecular weight of 205.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine is sourced from PubChem (CID 142290491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).