CID 167495443

C10H20BNO — CID 167495443

IUPAC—
SMILES[B]CCN1CCC(COCC)CC1
InChIInChI=1S/C10H20BNO/c1-2-13-9-10-3-6-12(7-4-10)8-5-11/h10H,2-9H2,1H3
InChIKeyAGDVEIYONBCDKV-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.32
Rot. Bonds5

About CID 167495443

CID 167495443 (PubChem CID 167495443) has the molecular formula C10H20BNO and a molecular weight of 181.09 g/mol.

Molecular Properties

Compound NameCID 167495443
PubChem CID167495443
Molecular FormulaC10H20BNO
Molecular Weight181.09 g/mol
Exact Mass181.16
IUPAC Name—
SMILES[B]CCN1CCC(COCC)CC1
InChIInChI=1S/C10H20BNO/c1-2-13-9-10-3-6-12(7-4-10)8-5-11/h10H,2-9H2,1H3
InChIKeyAGDVEIYONBCDKV-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
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(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
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2-[3-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 121201448
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
ethoxymethylcyclooctane
CID 70370569
1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
CID 176983279
CID 174080990
CID 174080990
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474

Frequently Asked Questions

What is the IUPAC name of CID 167495443?
The IUPAC name of CID 167495443 (CID 167495443) is not available.
What is the SMILES notation for CID 167495443?
The canonical SMILES for CID 167495443 is [B]CCN1CCC(COCC)CC1.
What is the InChIKey of CID 167495443?
The InChIKey is AGDVEIYONBCDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BNO/c1-2-13-9-10-3-6-12(7-4-10)8-5-11/h10H,2-9H2,1H3.
What are the key properties of CID 167495443?
CID 167495443 has a molecular weight of 181.09 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167495443 is sourced from PubChem (CID 167495443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).