N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine

C8H17NO — CID 163692050

IUPACN-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine
SMILESCCNCC1C[C@H](C)CO1
InChIInChI=1S/C8H17NO/c1-3-9-5-8-4-7(2)6-10-8/h7-9H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyJTUNBHBZSGDNSQ-JAMMHHFISA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds3

About N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine

N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine (PubChem CID 163692050) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine
PubChem CID163692050
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine
SMILESCCNCC1C[C@H](C)CO1
InChIInChI=1S/C8H17NO/c1-3-9-5-8-4-7(2)6-10-8/h7-9H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyJTUNBHBZSGDNSQ-JAMMHHFISA-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-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine (CID 163692050) is N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine is CCNCC1C[C@H](C)CO1.
What is the InChIKey of N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine?
The InChIKey is JTUNBHBZSGDNSQ-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NO/c1-3-9-5-8-4-7(2)6-10-8/h7-9H,3-6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine?
N-[[(4S)-4-methyloxolan-2-yl]methyl]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-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 163692050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).