N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine

C16H32N2 — CID 171445110

IUPACN,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine
SMILESCC(C)(C)NC1CC2CC(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C16H32N2/c1-15(2,3)17-14-8-12-7-13(9-14)11-18(10-12)16(4,5)6/h12-14,17H,7-11H2,1-6H3
InChIKeyGTIJEYOJOFNGLH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds1

About N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine

N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine (PubChem CID 171445110) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound NameN,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine
PubChem CID171445110
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine
SMILESCC(C)(C)NC1CC2CC(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C16H32N2/c1-15(2,3)17-14-8-12-7-13(9-14)11-18(10-12)16(4,5)6/h12-14,17H,7-11H2,1-6H3
InChIKeyGTIJEYOJOFNGLH-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide
CID 59647
3-Azabicyclo(3.3.1)nonane, 3-methyl-, hydrobromide
CID 59649
3-Azabicyclo[3.3.1]nonan-9-amine
CID 18414513
1-Ethyl-2-azabicyclo[3.3.1]nonane
CID 9793870
1,5,7-Trimethyl-2-azabicyclo[3.3.1]nonane
CID 10125099
1-Propyl-2-azabicyclo[3.3.1]nonane
CID 10313282
N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 20133735
1-methyl-3-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 20405703
N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]cyclohexanamine
CID 21559306
3-Methyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 47003637
1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine
CID 54866613

Frequently Asked Questions

What is the IUPAC name of N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine (CID 171445110) is N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine is CC(C)(C)NC1CC2CC(C1)CN(C(C)(C)C)C2.
What is the InChIKey of N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine?
The InChIKey is GTIJEYOJOFNGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(2,3)17-14-8-12-7-13(9-14)11-18(10-12)16(4,5)6/h12-14,17H,7-11H2,1-6H3.
What are the key properties of N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine?
N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-ditert-butyl-3-azabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 171445110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).