9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine

C14H24N2 — CID 104807094

IUPAC9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC#CCCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C14H24N2/c1-3-4-5-9-15-12-10-13-7-6-8-14(11-12)16(13)2/h12-15H,5-11H2,1-2H3
InChIKeyXDFGYBUPYVQPAL-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.00
Rot. Bonds3

About 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 104807094) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID104807094
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC#CCCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C14H24N2/c1-3-4-5-9-15-12-10-13-7-6-8-14(11-12)16(13)2/h12-15H,5-11H2,1-2H3
InChIKeyXDFGYBUPYVQPAL-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 104807094) is 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine is CC#CCCNC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is XDFGYBUPYVQPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-5-9-15-12-10-13-7-6-8-14(11-12)16(13)2/h12-15H,5-11H2,1-2H3.
What are the key properties of 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 104807094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).