N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C19H36N2 — CID 65472154

IUPACN-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NC1CCCCC1C(C)(C)C)C2
InChIInChI=1S/C19H36N2/c1-19(2,3)17-10-5-6-11-18(17)20-14-12-15-8-7-9-16(13-14)21(15)4/h14-18,20H,5-13H2,1-4H3
InChIKeyWGIQDZHMWPKTRA-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472154) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472154
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NC1CCCCC1C(C)(C)C)C2
InChIInChI=1S/C19H36N2/c1-19(2,3)17-10-5-6-11-18(17)20-14-12-15-8-7-9-16(13-14)21(15)4/h14-18,20H,5-13H2,1-4H3
InChIKeyWGIQDZHMWPKTRA-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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Related Compounds

N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
N-(2-tert-butylcyclohexyl)-1,2-dimethylpiperidin-4-amine
CID 81298342
N-(2-tert-butylcyclohexyl)pyrrolidin-3-amine
CID 79724244
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 81320651
N-(1-azabicyclo[2.2.2]octan-3-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472361
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 667781
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one
CID 64655706
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
N-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131525
N-(2-tert-butylcyclohexyl)-1,3-dimethylpiperidin-4-amine
CID 115708700

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472154) is N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(NC1CCCCC1C(C)(C)C)C2.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WGIQDZHMWPKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-19(2,3)17-10-5-6-11-18(17)20-14-12-15-8-7-9-16(13-14)21(15)4/h14-18,20H,5-13H2,1-4H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(2-tert-butylcyclohexyl)-9-methyl-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-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).