N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C19H36N2 — CID 64740285

IUPACN-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC1CCC(NC2C3CCCC2CN(C(C)C)C3)CC1C
InChIInChI=1S/C19H36N2/c1-13(2)21-11-16-6-5-7-17(12-21)19(16)20-18-9-8-14(3)15(4)10-18/h13-20H,5-12H2,1-4H3
InChIKeyNJPXZVZNVISGBN-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 64740285) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID64740285
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC1CCC(NC2C3CCCC2CN(C(C)C)C3)CC1C
InChIInChI=1S/C19H36N2/c1-13(2)21-11-16-6-5-7-17(12-21)19(16)20-18-9-8-14(3)15(4)10-18/h13-20H,5-12H2,1-4H3
InChIKeyNJPXZVZNVISGBN-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 64740285) is N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC1CCC(NC2C3CCCC2CN(C(C)C)C3)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is NJPXZVZNVISGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-13(2)21-11-16-6-5-7-17(12-21)19(16)20-18-9-8-14(3)15(4)10-18/h13-20H,5-12H2,1-4H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 64740285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).