(1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine

C11H18N2 — CID 176957917

IUPAC(1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine
SMILESCC(C)(C)C1=N/C(N)=C\CC/C=C\1
InChIInChI=1S/C11H18N2/c1-11(2,3)9-7-5-4-6-8-10(12)13-9/h5,7-8H,4,6,12H2,1-3H3/b7-5-,10-8-,13-9+
InChIKeyAOAOFOJGELAIIZ-XZLBKBBJSA-N
MW178.28 g/mol
LogP2.62
Rot. Bonds

About (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine

(1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine (PubChem CID 176957917) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine.

Molecular Properties

Compound Name(1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine
PubChem CID176957917
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine
SMILESCC(C)(C)C1=N/C(N)=C\CC/C=C\1
InChIInChI=1S/C11H18N2/c1-11(2,3)9-7-5-4-6-8-10(12)13-9/h5,7-8H,4,6,12H2,1-3H3/b7-5-,10-8-,13-9+
InChIKeyAOAOFOJGELAIIZ-XZLBKBBJSA-N
XLogP2.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methane;2-methylcyclohexa-1,3-diene
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CID 142315205
cyclohexa-1,5-dien-1-ol;ethane
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Frequently Asked Questions

What is the IUPAC name of (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine?
The IUPAC name of (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine (CID 176957917) is (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine.
What is the SMILES notation for (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine?
The canonical SMILES for (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine is CC(C)(C)C1=N/C(N)=C\CC/C=C\1.
What is the InChIKey of (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine?
The InChIKey is AOAOFOJGELAIIZ-XZLBKBBJSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)9-7-5-4-6-8-10(12)13-9/h5,7-8H,4,6,12H2,1-3H3/b7-5-,10-8-,13-9+.
What are the key properties of (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine?
(1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine is sourced from PubChem (CID 176957917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).