N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine

C8H17NO — CID 170119117

IUPACN-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
SMILESCNCC[C@@]1(C)CCOC1
InChIInChI=1S/C8H17NO/c1-8(3-5-9-2)4-6-10-7-8/h9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyLRRATGJFESCVPG-QMMMGPOBSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds3

About N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine

N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine (PubChem CID 170119117) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
PubChem CID170119117
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
SMILESCNCC[C@@]1(C)CCOC1
InChIInChI=1S/C8H17NO/c1-8(3-5-9-2)4-6-10-7-8/h9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyLRRATGJFESCVPG-QMMMGPOBSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine (CID 170119117) is N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine is CNCC[C@@]1(C)CCOC1.
What is the InChIKey of N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine?
The InChIKey is LRRATGJFESCVPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(3-5-9-2)4-6-10-7-8/h9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine?
N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine is sourced from PubChem (CID 170119117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).