4-(ethylaminomethyl)oxepan-4-ol

C9H19NO2 — CID 65080985

IUPAC4-(ethylaminomethyl)oxepan-4-ol
SMILESCCNCC1(O)CCCOCC1
InChIInChI=1S/C9H19NO2/c1-2-10-8-9(11)4-3-6-12-7-5-9/h10-11H,2-8H2,1H3
InChIKeyFRAKQWJUCRGOEC-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds3

About 4-(ethylaminomethyl)oxepan-4-ol

4-(ethylaminomethyl)oxepan-4-ol (PubChem CID 65080985) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(ethylaminomethyl)oxepan-4-ol.

Molecular Properties

Compound Name4-(ethylaminomethyl)oxepan-4-ol
PubChem CID65080985
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(ethylaminomethyl)oxepan-4-ol
SMILESCCNCC1(O)CCCOCC1
InChIInChI=1S/C9H19NO2/c1-2-10-8-9(11)4-3-6-12-7-5-9/h10-11H,2-8H2,1H3
InChIKeyFRAKQWJUCRGOEC-UHFFFAOYSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
4-[(2-methylidenebutylamino)methyl]oxan-4-ol
CID 81131211
4-[(methoxyamino)methyl]oxan-4-ol
CID 130638339
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
CID 81130877
4-dodecyloxepan-4-ol
CID 65151403
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]oxan-4-ol
CID 81419874
4-but-3-ynyloxepan-4-ol
CID 65078866
N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
CID 94930520
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol
CID 115746977
4-[(2-butoxyethylamino)methyl]oxan-4-ol
CID 81131048
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)oxepan-4-ol?
The IUPAC name of 4-(ethylaminomethyl)oxepan-4-ol (CID 65080985) is 4-(ethylaminomethyl)oxepan-4-ol.
What is the SMILES notation for 4-(ethylaminomethyl)oxepan-4-ol?
The canonical SMILES for 4-(ethylaminomethyl)oxepan-4-ol is CCNCC1(O)CCCOCC1.
What is the InChIKey of 4-(ethylaminomethyl)oxepan-4-ol?
The InChIKey is FRAKQWJUCRGOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-10-8-9(11)4-3-6-12-7-5-9/h10-11H,2-8H2,1H3.
What are the key properties of 4-(ethylaminomethyl)oxepan-4-ol?
4-(ethylaminomethyl)oxepan-4-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)oxepan-4-ol is sourced from PubChem (CID 65080985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).