(5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene

C17H33N — CID 142048312

IUPAC(5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene
SMILESC=C.C=C/C=C(\C=C/C)CCC(C)N(C)C.CC
InChIInChI=1S/C13H23N.C2H6.C2H4/c1-6-8-13(9-7-2)11-10-12(3)14(4)5;2*1-2/h6-9,12H,1,10-11H2,2-5H3;1-2H3;1-2H2/b9-7-,13-8+;;
InChIKeySTBRJYIRCYSMJC-KDLXQMMSSA-N
MW251.46 g/mol
LogP5.23
Rot. Bonds6

About (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene

(5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene (PubChem CID 142048312) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene.

Molecular Properties

Compound Name(5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene
PubChem CID142048312
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene
SMILESC=C.C=C/C=C(\C=C/C)CCC(C)N(C)C.CC
InChIInChI=1S/C13H23N.C2H6.C2H4/c1-6-8-13(9-7-2)11-10-12(3)14(4)5;2*1-2/h6-9,12H,1,10-11H2,2-5H3;1-2H3;1-2H2/b9-7-,13-8+;;
InChIKeySTBRJYIRCYSMJC-KDLXQMMSSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.23
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene?
The IUPAC name of (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene (CID 142048312) is (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene.
What is the SMILES notation for (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene?
The canonical SMILES for (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene is C=C.C=C/C=C(\C=C/C)CCC(C)N(C)C.CC.
What is the InChIKey of (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene?
The InChIKey is STBRJYIRCYSMJC-KDLXQMMSSA-N. The full InChI is InChI=1S/C13H23N.C2H6.C2H4/c1-6-8-13(9-7-2)11-10-12(3)14(4)5;2*1-2/h6-9,12H,1,10-11H2,2-5H3;1-2H3;1-2H2/b9-7-,13-8+;;.
What are the key properties of (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene?
(5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene has a molecular weight of 251.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene is sourced from PubChem (CID 142048312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).