(2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine

C15H24N2 — CID 174341674

IUPAC(2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine
SMILESC=CC(C)C(C)/C1=C(N)/C(C)=N\C=C/CC1C
InChIInChI=1S/C15H24N2/c1-6-10(2)12(4)14-11(3)8-7-9-17-13(5)15(14)16/h6-7,9-12H,1,8,16H2,2-5H3/b9-7-,15-14-,17-13-
InChIKeyUHQFAPBXKGKMSV-SNQLNIGUSA-N
MW232.37 g/mol
LogP3.67
Rot. Bonds3

About (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine

(2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine (PubChem CID 174341674) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine.

Molecular Properties

Compound Name(2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine
PubChem CID174341674
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine
SMILESC=CC(C)C(C)/C1=C(N)/C(C)=N\C=C/CC1C
InChIInChI=1S/C15H24N2/c1-6-10(2)12(4)14-11(3)8-7-9-17-13(5)15(14)16/h6-7,9-12H,1,8,16H2,2-5H3/b9-7-,15-14-,17-13-
InChIKeyUHQFAPBXKGKMSV-SNQLNIGUSA-N
XLogP3.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine?
The IUPAC name of (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine (CID 174341674) is (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine.
What is the SMILES notation for (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine?
The canonical SMILES for (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine is C=CC(C)C(C)/C1=C(N)/C(C)=N\C=C/CC1C.
What is the InChIKey of (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine?
The InChIKey is UHQFAPBXKGKMSV-SNQLNIGUSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-10(2)12(4)14-11(3)8-7-9-17-13(5)15(14)16/h6-7,9-12H,1,8,16H2,2-5H3/b9-7-,15-14-,17-13-.
What are the key properties of (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine?
(2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine has a molecular weight of 232.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-5,8-dimethyl-6-(3-methylpent-4-en-2-yl)-4,5-dihydroazocin-7-amine is sourced from PubChem (CID 174341674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).