7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane

C12H19N — CID 177319171

IUPAC7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane
SMILESCC#CC1CC2(CCN(C)CC2)C1
InChIInChI=1S/C12H19N/c1-3-4-11-9-12(10-11)5-7-13(2)8-6-12/h11H,5-10H2,1-2H3
InChIKeyIODNHNMTJDXFFF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.13
Rot. Bonds

About 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane

7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane (PubChem CID 177319171) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane
PubChem CID177319171
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane
SMILESCC#CC1CC2(CCN(C)CC2)C1
InChIInChI=1S/C12H19N/c1-3-4-11-9-12(10-11)5-7-13(2)8-6-12/h11H,5-10H2,1-2H3
InChIKeyIODNHNMTJDXFFF-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane (CID 177319171) is 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane is CC#CC1CC2(CCN(C)CC2)C1.
What is the InChIKey of 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane?
The InChIKey is IODNHNMTJDXFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-11-9-12(10-11)5-7-13(2)8-6-12/h11H,5-10H2,1-2H3.
What are the key properties of 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane?
7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane has a molecular weight of 177.29 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 177319171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).