ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine

C18H42N2O2 — CID 143651446

IUPACethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine
SMILESCC.CC.CC.CN1C[C@@H]2C[C@H]1CO2.CNC1CCOCC1
InChIInChI=1S/C6H11NO.C6H13NO.3C2H6/c1-7-3-6-2-5(7)4-8-6;1-7-6-2-4-8-5-3-6;3*1-2/h5-6H,2-4H2,1H3;6-7H,2-5H2,1H3;3*1-2H3/t5-,6-;;;;/m0..../s1
InChIKeyFYDPRUAHEQWHPU-UKVIHGRNSA-N
MW318.55 g/mol
LogP3.55
Rot. Bonds1

About ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine

ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine (PubChem CID 143651446) has the molecular formula C18H42N2O2 and a molecular weight of 318.55 g/mol. Its IUPAC name is ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine.

Molecular Properties

Compound Nameethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine
PubChem CID143651446
Molecular FormulaC18H42N2O2
Molecular Weight318.55 g/mol
Exact Mass318.32
IUPAC Nameethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine
SMILESCC.CC.CC.CN1C[C@@H]2C[C@H]1CO2.CNC1CCOCC1
InChIInChI=1S/C6H11NO.C6H13NO.3C2H6/c1-7-3-6-2-5(7)4-8-6;1-7-6-2-4-8-5-3-6;3*1-2/h5-6H,2-4H2,1H3;6-7H,2-5H2,1H3;3*1-2H3/t5-,6-;;;;/m0..../s1
InChIKeyFYDPRUAHEQWHPU-UKVIHGRNSA-N
XLogP3.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine?
The IUPAC name of ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine (CID 143651446) is ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine.
What is the SMILES notation for ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine?
The canonical SMILES for ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine is CC.CC.CC.CN1C[C@@H]2C[C@H]1CO2.CNC1CCOCC1.
What is the InChIKey of ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine?
The InChIKey is FYDPRUAHEQWHPU-UKVIHGRNSA-N. The full InChI is InChI=1S/C6H11NO.C6H13NO.3C2H6/c1-7-3-6-2-5(7)4-8-6;1-7-6-2-4-8-5-3-6;3*1-2/h5-6H,2-4H2,1H3;6-7H,2-5H2,1H3;3*1-2H3/t5-,6-;;;;/m0..../s1.
What are the key properties of ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine?
ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine has a molecular weight of 318.55 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methyloxan-4-amine is sourced from PubChem (CID 143651446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).