2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine

C13H26N2 — CID 115027150

IUPAC2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine
SMILESCN1CC2CC(C)(C)CC(C1)C2CCN
InChIInChI=1S/C13H26N2/c1-13(2)6-10-8-15(3)9-11(7-13)12(10)4-5-14/h10-12H,4-9,14H2,1-3H3
InChIKeyNFMQORMBADCFMG-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.95
Rot. Bonds2

About 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine

2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine (PubChem CID 115027150) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine
PubChem CID115027150
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine
SMILESCN1CC2CC(C)(C)CC(C1)C2CCN
InChIInChI=1S/C13H26N2/c1-13(2)6-10-8-15(3)9-11(7-13)12(10)4-5-14/h10-12H,4-9,14H2,1-3H3
InChIKeyNFMQORMBADCFMG-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine?
The IUPAC name of 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine (CID 115027150) is 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine.
What is the SMILES notation for 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine?
The canonical SMILES for 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine is CN1CC2CC(C)(C)CC(C1)C2CCN.
What is the InChIKey of 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine?
The InChIKey is NFMQORMBADCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2)6-10-8-15(3)9-11(7-13)12(10)4-5-14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine?
2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine has a molecular weight of 210.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine is sourced from PubChem (CID 115027150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).