ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine

C28H39N — CID 143375262

IUPACethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine
SMILESC=C.C=C/C=C1/C2=C(C(=C)/C=C(\C)CC(C)/C=C\C(C)=C\C/C=C\2)C(C)(N)C1C
InChIInChI=1S/C26H35N.C2H4/c1-8-11-23-22(6)26(7,27)25-21(5)17-20(4)16-19(3)15-14-18(2)12-9-10-13-24(23)25;1-2/h8,10-15,17,19,22H,1,5,9,16,27H2,2-4,6-7H3;1-2H2/b13-10-,15-14-,18-12+,20-17+,23-11+;
InChIKeyONNZTVCBJUGUPE-DURNUGGXSA-N
MW389.63 g/mol
LogP7.56
Rot. Bonds1

About ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine

ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine (PubChem CID 143375262) has the molecular formula C28H39N and a molecular weight of 389.63 g/mol. Its IUPAC name is ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine.

Molecular Properties

Compound Nameethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine
PubChem CID143375262
Molecular FormulaC28H39N
Molecular Weight389.63 g/mol
Exact Mass389.31
IUPAC Nameethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine
SMILESC=C.C=C/C=C1/C2=C(C(=C)/C=C(\C)CC(C)/C=C\C(C)=C\C/C=C\2)C(C)(N)C1C
InChIInChI=1S/C26H35N.C2H4/c1-8-11-23-22(6)26(7,27)25-21(5)17-20(4)16-19(3)15-14-18(2)12-9-10-13-24(23)25;1-2/h8,10-15,17,19,22H,1,5,9,16,27H2,2-4,6-7H3;1-2H2/b13-10-,15-14-,18-12+,20-17+,23-11+;
InChIKeyONNZTVCBJUGUPE-DURNUGGXSA-N
XLogP7.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.63
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine?
The IUPAC name of ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine (CID 143375262) is ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine.
What is the SMILES notation for ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine?
The canonical SMILES for ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine is C=C.C=C/C=C1/C2=C(C(=C)/C=C(\C)CC(C)/C=C\C(C)=C\C/C=C\2)C(C)(N)C1C.
What is the InChIKey of ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine?
The InChIKey is ONNZTVCBJUGUPE-DURNUGGXSA-N. The full InChI is InChI=1S/C26H35N.C2H4/c1-8-11-23-22(6)26(7,27)25-21(5)17-20(4)16-19(3)15-14-18(2)12-9-10-13-24(23)25;1-2/h8,10-15,17,19,22H,1,5,9,16,27H2,2-4,6-7H3;1-2H2/b13-10-,15-14-,18-12+,20-17+,23-11+;.
What are the key properties of ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine?
ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine has a molecular weight of 389.63 g/mol, XLogP of 7.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine is sourced from PubChem (CID 143375262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).