N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine

C9H15NO — CID 545919

IUPACN-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine
SMILESCNC1CCC2C=CCC1O2
InChIInChI=1S/C9H15NO/c1-10-8-6-5-7-3-2-4-9(8)11-7/h2-3,7-10H,4-6H2,1H3
InChIKeyORCMYHQRULCORO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds1

About N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine

N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine (PubChem CID 545919) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine.

Molecular Properties

Compound NameN-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine
PubChem CID545919
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine
SMILESCNC1CCC2C=CCC1O2
InChIInChI=1S/C9H15NO/c1-10-8-6-5-7-3-2-4-9(8)11-7/h2-3,7-10H,4-6H2,1H3
InChIKeyORCMYHQRULCORO-UHFFFAOYSA-N
XLogP1.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Formamide, N-9-oxabicyclo[3.3.1]non-6-en-2-yl-, endo-
CID 548995
2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
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ethane;8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
CID 143698492
2-[Cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine
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2-[Cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane
CID 144830251
(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine
CID 55289448
(1S,3S,6S,8S)-2-oxa-7-azatricyclo[4.4.0.03,8]dec-4-ene
CID 55303231
2-Oxa-7-azatricyclo[4.4.0.03,8]dec-4-ene
CID 76226035
2-cyclohex-2-en-1-yloxy-N-methylcyclohexan-1-amine
CID 102633123
4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine
CID 114227733
2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine
CID 114227999
2-(Cyclohex-2-en-1-yloxymethyl)piperidine
CID 114620314

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine?
The IUPAC name of N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine (CID 545919) is N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine.
What is the SMILES notation for N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine?
The canonical SMILES for N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine is CNC1CCC2C=CCC1O2.
What is the InChIKey of N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine?
The InChIKey is ORCMYHQRULCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-8-6-5-7-3-2-4-9(8)11-7/h2-3,7-10H,4-6H2,1H3.
What are the key properties of N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine?
N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-oxabicyclo[3.3.1]non-6-en-2-amine is sourced from PubChem (CID 545919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).