N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

C19H36N2 — CID 103968392

IUPACN-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C19H36N2/c1-18(2)11-17(12-19(3,4)13-18)21-15-7-6-8-16(21)10-14(9-15)20-5/h14-17,20H,6-13H2,1-5H3
InChIKeyDGBMBSRFBMOXNS-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds2

About N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 103968392) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID103968392
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C19H36N2/c1-18(2)11-17(12-19(3,4)13-18)21-15-7-6-8-16(21)10-14(9-15)20-5/h14-17,20H,6-13H2,1-5H3
InChIKeyDGBMBSRFBMOXNS-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 103968392) is N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DGBMBSRFBMOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-18(2)11-17(12-19(3,4)13-18)21-15-7-6-8-16(21)10-14(9-15)20-5/h14-17,20H,6-13H2,1-5H3.
What are the key properties of N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 103968392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).