CID 174109893

C9H17BFN — CID 174109893

IUPAC—
SMILES[B]C1(F)CCN(CC(C)C)CC1
InChIInChI=1S/C9H17BFN/c1-8(2)7-12-5-3-9(10,11)4-6-12/h8H,3-7H2,1-2H3
InChIKeyQILYWHXTQAGVNA-UHFFFAOYSA-N
MW169.05 g/mol
LogP1.57
Rot. Bonds2

About CID 174109893

CID 174109893 (PubChem CID 174109893) has the molecular formula C9H17BFN and a molecular weight of 169.05 g/mol.

Molecular Properties

Compound NameCID 174109893
PubChem CID174109893
Molecular FormulaC9H17BFN
Molecular Weight169.05 g/mol
Exact Mass169.14
IUPAC Name—
SMILES[B]C1(F)CCN(CC(C)C)CC1
InChIInChI=1S/C9H17BFN/c1-8(2)7-12-5-3-9(10,11)4-6-12/h8H,3-7H2,1-2H3
InChIKeyQILYWHXTQAGVNA-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
4-methyl-1,4-bis(2-methylpropyl)piperidine
CID 176612276
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
3-fluoro-1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 131134151
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
4-(methoxymethyl)-1-(2-methylpropyl)piperidin-4-ol
CID 103857787
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 153484479
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
methane;1-(2-methylpropyl)piperazine
CID 167537973

Frequently Asked Questions

What is the IUPAC name of CID 174109893?
The IUPAC name of CID 174109893 (CID 174109893) is not available.
What is the SMILES notation for CID 174109893?
The canonical SMILES for CID 174109893 is [B]C1(F)CCN(CC(C)C)CC1.
What is the InChIKey of CID 174109893?
The InChIKey is QILYWHXTQAGVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BFN/c1-8(2)7-12-5-3-9(10,11)4-6-12/h8H,3-7H2,1-2H3.
What are the key properties of CID 174109893?
CID 174109893 has a molecular weight of 169.05 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174109893 is sourced from PubChem (CID 174109893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).