ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine

C18H27N — CID 142171222

IUPACethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine
SMILESC=C.C=CCC(=C)/C(C)=C/C(C#CCN(C)C)=C\C
InChIInChI=1S/C16H23N.C2H4/c1-7-10-14(3)15(4)13-16(8-2)11-9-12-17(5)6;1-2/h7-8,13H,1,3,10,12H2,2,4-6H3;1-2H2/b15-13+,16-8-;
InChIKeyLRMQTMIJVKHVMQ-RZHHJBTKSA-N
MW257.42 g/mol
LogP4.38
Rot. Bonds5

About ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine

ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine (PubChem CID 142171222) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine.

Molecular Properties

Compound Nameethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine
PubChem CID142171222
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine
SMILESC=C.C=CCC(=C)/C(C)=C/C(C#CCN(C)C)=C\C
InChIInChI=1S/C16H23N.C2H4/c1-7-10-14(3)15(4)13-16(8-2)11-9-12-17(5)6;1-2/h7-8,13H,1,3,10,12H2,2,4-6H3;1-2H2/b15-13+,16-8-;
InChIKeyLRMQTMIJVKHVMQ-RZHHJBTKSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine?
The IUPAC name of ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine (CID 142171222) is ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine.
What is the SMILES notation for ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine?
The canonical SMILES for ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine is C=C.C=CCC(=C)/C(C)=C/C(C#CCN(C)C)=C\C.
What is the InChIKey of ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine?
The InChIKey is LRMQTMIJVKHVMQ-RZHHJBTKSA-N. The full InChI is InChI=1S/C16H23N.C2H4/c1-7-10-14(3)15(4)13-16(8-2)11-9-12-17(5)6;1-2/h7-8,13H,1,3,10,12H2,2,4-6H3;1-2H2/b15-13+,16-8-;.
What are the key properties of ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine?
ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine is sourced from PubChem (CID 142171222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).