[(3S,5S)-5-methoxyoxepan-3-yl]methanamine

C8H17NO2 — CID 59234185

IUPAC[(3S,5S)-5-methoxyoxepan-3-yl]methanamine
SMILESCO[C@@H]1CCOC[C@H](CN)C1
InChIInChI=1S/C8H17NO2/c1-10-8-2-3-11-6-7(4-8)5-9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyWDYPFMANBHMEBD-JGVFFNPUSA-N
MW159.23 g/mol
LogP0.39
Rot. Bonds2

About [(3S,5S)-5-methoxyoxepan-3-yl]methanamine

[(3S,5S)-5-methoxyoxepan-3-yl]methanamine (PubChem CID 59234185) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [(3S,5S)-5-methoxyoxepan-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,5S)-5-methoxyoxepan-3-yl]methanamine
PubChem CID59234185
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[(3S,5S)-5-methoxyoxepan-3-yl]methanamine
SMILESCO[C@@H]1CCOC[C@H](CN)C1
InChIInChI=1S/C8H17NO2/c1-10-8-2-3-11-6-7(4-8)5-9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyWDYPFMANBHMEBD-JGVFFNPUSA-N
XLogP0.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,5S)-5-methoxyoxan-3-yl]methanamine
CID 59234207
(3,5-dimethoxycyclohexyl)methanamine
CID 123884100
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
(4-methoxycyclohexyl)methanamine;hydrochloride
CID 66699723
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide
CID 143289321
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
ethane;3-(methoxymethyl)oxolane
CID 143285946
oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
CID 66173034
(5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride
CID 71741933
2-(3-methoxycyclobutyl)ethanamine
CID 106824044
oxan-4-ylmethanol;oxolan-3-ylmethanol
CID 159525892

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-methoxyoxepan-3-yl]methanamine?
The IUPAC name of [(3S,5S)-5-methoxyoxepan-3-yl]methanamine (CID 59234185) is [(3S,5S)-5-methoxyoxepan-3-yl]methanamine.
What is the SMILES notation for [(3S,5S)-5-methoxyoxepan-3-yl]methanamine?
The canonical SMILES for [(3S,5S)-5-methoxyoxepan-3-yl]methanamine is CO[C@@H]1CCOC[C@H](CN)C1.
What is the InChIKey of [(3S,5S)-5-methoxyoxepan-3-yl]methanamine?
The InChIKey is WDYPFMANBHMEBD-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-8-2-3-11-6-7(4-8)5-9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(3S,5S)-5-methoxyoxepan-3-yl]methanamine?
[(3S,5S)-5-methoxyoxepan-3-yl]methanamine has a molecular weight of 159.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-methoxyoxepan-3-yl]methanamine is sourced from PubChem (CID 59234185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).