[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol

C12H22N2O2 — CID 106297904

IUPAC[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2=NCCCCC2)CCOCC1
InChIInChI=1S/C12H22N2O2/c15-10-12(5-8-16-9-6-12)14-11-4-2-1-3-7-13-11/h15H,1-10H2,(H,13,14)
InChIKeySAZOXHLIXVHYMZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.09
Rot. Bonds2

About [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol

[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol (PubChem CID 106297904) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol
PubChem CID106297904
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2=NCCCCC2)CCOCC1
InChIInChI=1S/C12H22N2O2/c15-10-12(5-8-16-9-6-12)14-11-4-2-1-3-7-13-11/h15H,1-10H2,(H,13,14)
InChIKeySAZOXHLIXVHYMZ-UHFFFAOYSA-N
XLogP1.09
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79507949
3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol
CID 106175377
[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
CID 106297496
[4-(2,3,4,5-Tetrahydropyridin-6-ylamino)oxan-4-yl]methanol
CID 106297711
N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
CID 114170298
N-(4-methyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 116231422

Frequently Asked Questions

What is the IUPAC name of [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol (CID 106297904) is [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol is OCC1(NC2=NCCCCC2)CCOCC1.
What is the InChIKey of [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol?
The InChIKey is SAZOXHLIXVHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-10-12(5-8-16-9-6-12)14-11-4-2-1-3-7-13-11/h15H,1-10H2,(H,13,14).
What are the key properties of [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol?
[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol has a molecular weight of 226.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol is sourced from PubChem (CID 106297904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).