N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine

C11H22N2 — CID 163703693

IUPACN,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine
SMILESCNN1CC(C)(C)CC2CCC1C2
InChIInChI=1S/C11H22N2/c1-11(2)7-9-4-5-10(6-9)13(8-11)12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyKDFDWPJLFDUIOD-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.02
Rot. Bonds1

About N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine

N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine (PubChem CID 163703693) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine
PubChem CID163703693
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine
SMILESCNN1CC(C)(C)CC2CCC1C2
InChIInChI=1S/C11H22N2/c1-11(2)7-9-4-5-10(6-9)13(8-11)12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyKDFDWPJLFDUIOD-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine?
The IUPAC name of N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine (CID 163703693) is N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine.
What is the SMILES notation for N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine?
The canonical SMILES for N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine is CNN1CC(C)(C)CC2CCC1C2.
What is the InChIKey of N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine?
The InChIKey is KDFDWPJLFDUIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2)7-9-4-5-10(6-9)13(8-11)12-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine?
N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-2-azabicyclo[4.2.1]nonan-2-amine is sourced from PubChem (CID 163703693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).