(7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine

C11H21N — CID 66908724

IUPAC(7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine
SMILESCC(C)C1C/C=C\N(C)CCC1
InChIInChI=1S/C11H21N/c1-10(2)11-6-4-8-12(3)9-5-7-11/h4,8,10-11H,5-7,9H2,1-3H3/b8-4-
InChIKeyMCSGVDIGDXPNPN-YWEYNIOJSA-N
MW167.30 g/mol
LogP2.89
Rot. Bonds1

About (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine

(7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine (PubChem CID 66908724) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine.

Molecular Properties

Compound Name(7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine
PubChem CID66908724
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine
SMILESCC(C)C1C/C=C\N(C)CCC1
InChIInChI=1S/C11H21N/c1-10(2)11-6-4-8-12(3)9-5-7-11/h4,8,10-11H,5-7,9H2,1-3H3/b8-4-
InChIKeyMCSGVDIGDXPNPN-YWEYNIOJSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine?
The IUPAC name of (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine (CID 66908724) is (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine.
What is the SMILES notation for (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine?
The canonical SMILES for (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine is CC(C)C1C/C=C\N(C)CCC1.
What is the InChIKey of (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine?
The InChIKey is MCSGVDIGDXPNPN-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)11-6-4-8-12(3)9-5-7-11/h4,8,10-11H,5-7,9H2,1-3H3/b8-4-.
What are the key properties of (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine?
(7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine has a molecular weight of 167.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine is sourced from PubChem (CID 66908724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).