2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine

C9H18N2O2 — CID 130856942

IUPAC2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine
SMILESCC(CN)N1C2COCC1COC2
InChIInChI=1S/C9H18N2O2/c1-7(2-10)11-8-3-12-5-9(11)6-13-4-8/h7-9H,2-6,10H2,1H3
InChIKeyKNDCGLNSPLUANF-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.57
Rot. Bonds2

About 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine

2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine (PubChem CID 130856942) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine
PubChem CID130856942
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine
SMILESCC(CN)N1C2COCC1COC2
InChIInChI=1S/C9H18N2O2/c1-7(2-10)11-8-3-12-5-9(11)6-13-4-8/h7-9H,2-6,10H2,1H3
InChIKeyKNDCGLNSPLUANF-UHFFFAOYSA-N
XLogP-0.57
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine
CID 107134608
(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
1-(1-aminopropan-2-yl)azetidin-3-ol
CID 83815022
7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146275691
(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 98255776
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine
CID 51670774
9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
CID 90360516
2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
CID 164653529
8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083724
6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane
CID 123370583
(1S,5R,6R)-5-fluoro-7-propan-2-yl-3-oxa-7-azabicyclo[4.1.1]octane
CID 176594328

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine?
The IUPAC name of 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine (CID 130856942) is 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine.
What is the SMILES notation for 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine?
The canonical SMILES for 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine is CC(CN)N1C2COCC1COC2.
What is the InChIKey of 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine?
The InChIKey is KNDCGLNSPLUANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2-10)11-8-3-12-5-9(11)6-13-4-8/h7-9H,2-6,10H2,1H3.
What are the key properties of 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine?
2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine has a molecular weight of 186.25 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine is sourced from PubChem (CID 130856942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).