(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine

C9H17N — CID 55286801

IUPAC(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
SMILESCC1CC/C=C\CCCN1
InChIInChI=1S/C9H17N/c1-9-7-5-3-2-4-6-8-10-9/h2-3,9-10H,4-8H2,1H3/b3-2-
InChIKeyCIAPXGAEHLVMNS-IHWYPQMZSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds

About (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine

(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine (PubChem CID 55286801) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine.

Molecular Properties

Compound Name(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
PubChem CID55286801
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
SMILESCC1CC/C=C\CCCN1
InChIInChI=1S/C9H17N/c1-9-7-5-3-2-4-6-8-10-9/h2-3,9-10H,4-8H2,1H3/b3-2-
InChIKeyCIAPXGAEHLVMNS-IHWYPQMZSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine?
The IUPAC name of (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine (CID 55286801) is (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine.
What is the SMILES notation for (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine?
The canonical SMILES for (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine is CC1CC/C=C\CCCN1.
What is the InChIKey of (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine?
The InChIKey is CIAPXGAEHLVMNS-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H17N/c1-9-7-5-3-2-4-6-8-10-9/h2-3,9-10H,4-8H2,1H3/b3-2-.
What are the key properties of (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine?
(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine is sourced from PubChem (CID 55286801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).