4-(oxolan-2-ylmethyl)azepane

C11H21NO — CID 126845756

IUPAC4-(oxolan-2-ylmethyl)azepane
SMILESC1CNCCC(CC2CCCO2)C1
InChIInChI=1S/C11H21NO/c1-3-10(5-7-12-6-1)9-11-4-2-8-13-11/h10-12H,1-9H2
InChIKeyXDUIDQDQOYNNNQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds2

About 4-(oxolan-2-ylmethyl)azepane

4-(oxolan-2-ylmethyl)azepane (PubChem CID 126845756) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)azepane.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)azepane
PubChem CID126845756
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(oxolan-2-ylmethyl)azepane
SMILESC1CNCCC(CC2CCCO2)C1
InChIInChI=1S/C11H21NO/c1-3-10(5-7-12-6-1)9-11-4-2-8-13-11/h10-12H,1-9H2
InChIKeyXDUIDQDQOYNNNQ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)oxolane
CID 57067840
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
2-(cyclopentylmethyl)morpholine
CID 55278350
4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
CID 26192445
N-methyl-N-[2-(oxolan-2-yl)ethyl]-2-piperidin-4-ylethanamine
CID 66272160
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 126845754
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine
CID 106495448
3-(oxolan-2-ylmethoxymethyl)pyrrolidine
CID 62372457
N-(azepan-4-ylmethyl)oxan-2-amine
CID 105466296

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)azepane?
The IUPAC name of 4-(oxolan-2-ylmethyl)azepane (CID 126845756) is 4-(oxolan-2-ylmethyl)azepane.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)azepane?
The canonical SMILES for 4-(oxolan-2-ylmethyl)azepane is C1CNCCC(CC2CCCO2)C1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)azepane?
The InChIKey is XDUIDQDQOYNNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(5-7-12-6-1)9-11-4-2-8-13-11/h10-12H,1-9H2.
What are the key properties of 4-(oxolan-2-ylmethyl)azepane?
4-(oxolan-2-ylmethyl)azepane has a molecular weight of 183.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)azepane is sourced from PubChem (CID 126845756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).