2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

C15H28N2O — CID 114196851

IUPAC2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1CC2CC(C1)CN(CCNCC1CCCO1)C2
InChIInChI=1S/C15H28N2O/c1-3-13-9-14(4-1)12-17(11-13)7-6-16-10-15-5-2-8-18-15/h13-16H,1-12H2
InChIKeyVKJDHHUAXQCROJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds5

About 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 114196851) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID114196851
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1CC2CC(C1)CN(CCNCC1CCCO1)C2
InChIInChI=1S/C15H28N2O/c1-3-13-9-14(4-1)12-17(11-13)7-6-16-10-15-5-2-8-18-15/h13-16H,1-12H2
InChIKeyVKJDHHUAXQCROJ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 62557540
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 55089832
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol
CID 67354791
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831
3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 114196851) is 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is C1CC2CC(C1)CN(CCNCC1CCCO1)C2.
What is the InChIKey of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is VKJDHHUAXQCROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-13-9-14(4-1)12-17(11-13)7-6-16-10-15-5-2-8-18-15/h13-16H,1-12H2.
What are the key properties of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 252.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 114196851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).