(6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine

C15H28N2 — CID 143488750

IUPAC(6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine
SMILESC/C=C(\C)C1CCCNC/C(NCCC)=C\1C
InChIInChI=1S/C15H28N2/c1-5-9-17-15-11-16-10-7-8-14(13(15)4)12(3)6-2/h6,14,16-17H,5,7-11H2,1-4H3/b12-6+,15-13+
InChIKeyURYMLIXBCICEBP-SXQUACMQSA-N
MW236.40 g/mol
LogP3.23
Rot. Bonds4

About (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine

(6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine (PubChem CID 143488750) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine.

Molecular Properties

Compound Name(6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine
PubChem CID143488750
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine
SMILESC/C=C(\C)C1CCCNC/C(NCCC)=C\1C
InChIInChI=1S/C15H28N2/c1-5-9-17-15-11-16-10-7-8-14(13(15)4)12(3)6-2/h6,14,16-17H,5,7-11H2,1-4H3/b12-6+,15-13+
InChIKeyURYMLIXBCICEBP-SXQUACMQSA-N
XLogP3.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine with MolForge

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Related Compounds

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4-[(2R)-butan-2-yl]-1,2,3,6-tetrahydropyridine
CID 89108916
N-ethyl-3,5-dimethylhept-5-en-2-amine
CID 91349472
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Frequently Asked Questions

What is the IUPAC name of (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine?
The IUPAC name of (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine (CID 143488750) is (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine.
What is the SMILES notation for (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine?
The canonical SMILES for (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine is C/C=C(\C)C1CCCNC/C(NCCC)=C\1C.
What is the InChIKey of (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine?
The InChIKey is URYMLIXBCICEBP-SXQUACMQSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-9-17-15-11-16-10-7-8-14(13(15)4)12(3)6-2/h6,14,16-17H,5,7-11H2,1-4H3/b12-6+,15-13+.
What are the key properties of (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine?
(6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine has a molecular weight of 236.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-[(E)-but-2-en-2-yl]-6-methyl-N-propyl-1,2,3,4,5,8-hexahydroazocin-7-amine is sourced from PubChem (CID 143488750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).