4-propoxyazepane

C9H19NO — CID 50987934

IUPAC4-propoxyazepane
SMILESCCCOC1CCCNCC1
InChIInChI=1S/C9H19NO/c1-2-8-11-9-4-3-6-10-7-5-9/h9-10H,2-8H2,1H3
InChIKeyQBTPBTNBMUKZBB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds3

About 4-propoxyazepane

4-propoxyazepane (PubChem CID 50987934) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-propoxyazepane.

Molecular Properties

Compound Name4-propoxyazepane
PubChem CID50987934
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-propoxyazepane
SMILESCCCOC1CCCNCC1
InChIInChI=1S/C9H19NO/c1-2-8-11-9-4-3-6-10-7-5-9/h9-10H,2-8H2,1H3
InChIKeyQBTPBTNBMUKZBB-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxyazepane hydrochloride
CID 74889941
4-Methoxyazepane
CID 19600383
3-Fluoro-4-propan-2-yloxyazepane
CID 58303693
4-Fluoro-5-propan-2-yloxyazepane
CID 58303778
3-Fluoro-4-methoxyazepane
CID 68321459
4-Ethoxy-3-fluoroazepane
CID 89100815
4-Ethoxy-5-fluoroazepane
CID 89840446
4-Fluoro-5-methoxyazepane
CID 89888251
5-Butoxy-3-fluoroazepane
CID 118248055
4,4-Difluoro-5-methoxyazepane
CID 124197765
3,3-Difluoro-5-methoxyazepane
CID 177326380
4-(2,2,2-Trifluoroethoxy)azepane
CID 63904435

Frequently Asked Questions

What is the IUPAC name of 4-propoxyazepane?
The IUPAC name of 4-propoxyazepane (CID 50987934) is 4-propoxyazepane.
What is the SMILES notation for 4-propoxyazepane?
The canonical SMILES for 4-propoxyazepane is CCCOC1CCCNCC1.
What is the InChIKey of 4-propoxyazepane?
The InChIKey is QBTPBTNBMUKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-8-11-9-4-3-6-10-7-5-9/h9-10H,2-8H2,1H3.
What are the key properties of 4-propoxyazepane?
4-propoxyazepane has a molecular weight of 157.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyazepane is sourced from PubChem (CID 50987934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).