ethane;(4-methyloxan-4-yl)methanamine

C9H21NO — CID 143156710

IUPACethane;(4-methyloxan-4-yl)methanamine
SMILESCC.CC1(CN)CCOCC1
InChIInChI=1S/C7H15NO.C2H6/c1-7(6-8)2-4-9-5-3-7;1-2/h2-6,8H2,1H3;1-2H3
InChIKeyDHBOYQJSOGTGBU-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds1

About ethane;(4-methyloxan-4-yl)methanamine

ethane;(4-methyloxan-4-yl)methanamine (PubChem CID 143156710) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;(4-methyloxan-4-yl)methanamine.

Molecular Properties

Compound Nameethane;(4-methyloxan-4-yl)methanamine
PubChem CID143156710
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;(4-methyloxan-4-yl)methanamine
SMILESCC.CC1(CN)CCOCC1
InChIInChI=1S/C7H15NO.C2H6/c1-7(6-8)2-4-9-5-3-7;1-2/h2-6,8H2,1H3;1-2H3
InChIKeyDHBOYQJSOGTGBU-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-methyloxan-4-yl)methanamine?
The IUPAC name of ethane;(4-methyloxan-4-yl)methanamine (CID 143156710) is ethane;(4-methyloxan-4-yl)methanamine.
What is the SMILES notation for ethane;(4-methyloxan-4-yl)methanamine?
The canonical SMILES for ethane;(4-methyloxan-4-yl)methanamine is CC.CC1(CN)CCOCC1.
What is the InChIKey of ethane;(4-methyloxan-4-yl)methanamine?
The InChIKey is DHBOYQJSOGTGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-7(6-8)2-4-9-5-3-7;1-2/h2-6,8H2,1H3;1-2H3.
What are the key properties of ethane;(4-methyloxan-4-yl)methanamine?
ethane;(4-methyloxan-4-yl)methanamine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methyloxan-4-yl)methanamine is sourced from PubChem (CID 143156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).