ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine

C9H21NO — CID 143946958

IUPACethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCC.CNCC1COC(C)C1
InChIInChI=1S/C7H15NO.C2H6/c1-6-3-7(4-8-2)5-9-6;1-2/h6-8H,3-5H2,1-2H3;1-2H3
InChIKeyOXDXBOKOTWQSLD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds2

About ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine

ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine (PubChem CID 143946958) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine
PubChem CID143946958
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCC.CNCC1COC(C)C1
InChIInChI=1S/C7H15NO.C2H6/c1-6-3-7(4-8-2)5-9-6;1-2/h6-8H,3-5H2,1-2H3;1-2H3
InChIKeyOXDXBOKOTWQSLD-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-iodo-1-(5-methyloxolan-3-yl)methanamine
CID 89101190
N-[(5-methyloxolan-3-yl)methyl]cyclopentanamine
CID 114825433
N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114825454
1-(5-cyclononyloxolan-3-yl)-N-methylmethanamine
CID 134220033
methyl-[(5-methyloxolan-3-yl)methyl]azanide
CID 155624971
N-methyl-1-(3-methyloxetan-2-yl)methanamine
CID 123426765
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
2-methyloxirane;polane
CID 173240072
CID 163498360
CID 163498360
2-bromo-1-N,1-N'-dimethyl-1-N'-[(5-methyloxolan-3-yl)methyl]-2-nitroethene-1,1-diamine
CID 139702658
λ2-plumbane;2-methyloxirane
CID 173222692
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine (CID 143946958) is ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine is CC.CNCC1COC(C)C1.
What is the InChIKey of ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The InChIKey is OXDXBOKOTWQSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-6-3-7(4-8-2)5-9-6;1-2/h6-8H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine?
ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 143946958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).