(Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine

C17H31N — CID 129215159

IUPAC(Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine
SMILESC=C/C(=C/CCC)C(C)C(C)CNCC/C=C\C
InChIInChI=1S/C17H31N/c1-6-9-11-13-18-14-15(4)16(5)17(8-3)12-10-7-2/h6,8-9,12,15-16,18H,3,7,10-11,13-14H2,1-2,4-5H3/b9-6-,17-12-
InChIKeyVPQPRNIUGUGEPQ-NEFJZHHBSA-N
MW249.44 g/mol
LogP4.73
Rot. Bonds10

About (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine

(Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine (PubChem CID 129215159) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine.

Molecular Properties

Compound Name(Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine
PubChem CID129215159
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine
SMILESC=C/C(=C/CCC)C(C)C(C)CNCC/C=C\C
InChIInChI=1S/C17H31N/c1-6-9-11-13-18-14-15(4)16(5)17(8-3)12-10-7-2/h6,8-9,12,15-16,18H,3,7,10-11,13-14H2,1-2,4-5H3/b9-6-,17-12-
InChIKeyVPQPRNIUGUGEPQ-NEFJZHHBSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine?
The IUPAC name of (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine (CID 129215159) is (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine.
What is the SMILES notation for (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine?
The canonical SMILES for (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine is C=C/C(=C/CCC)C(C)C(C)CNCC/C=C\C.
What is the InChIKey of (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine?
The InChIKey is VPQPRNIUGUGEPQ-NEFJZHHBSA-N. The full InChI is InChI=1S/C17H31N/c1-6-9-11-13-18-14-15(4)16(5)17(8-3)12-10-7-2/h6,8-9,12,15-16,18H,3,7,10-11,13-14H2,1-2,4-5H3/b9-6-,17-12-.
What are the key properties of (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine?
(Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenyl-2,3-dimethyl-N-[(Z)-pent-3-enyl]oct-4-en-1-amine is sourced from PubChem (CID 129215159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).