9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H28N2 — CID 62714370

IUPAC9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC1CC=CCC1
InChIInChI=1S/C16H28N2/c1-17-14-10-15-8-5-9-16(11-14)18(15)12-13-6-3-2-4-7-13/h2-3,13-17H,4-12H2,1H3
InChIKeyYUAJRBOUXJHOBY-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.95
Rot. Bonds3

About 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714370) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714370
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC1CC=CCC1
InChIInChI=1S/C16H28N2/c1-17-14-10-15-8-5-9-16(11-14)18(15)12-13-6-3-2-4-7-13/h2-3,13-17H,4-12H2,1H3
InChIKeyYUAJRBOUXJHOBY-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714370) is 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CC1CC=CCC1.
What is the InChIKey of 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is YUAJRBOUXJHOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-17-14-10-15-8-5-9-16(11-14)18(15)12-13-6-3-2-4-7-13/h2-3,13-17H,4-12H2,1H3.
What are the key properties of 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 248.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).