CID 174080990

C11H22BN — CID 174080990

IUPAC—
SMILES[B]CCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22BN/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h10H,4-9H2,1-3H3
InChIKeyOIWYMXJHUKREQH-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.33
Rot. Bonds2

About CID 174080990

CID 174080990 (PubChem CID 174080990) has the molecular formula C11H22BN and a molecular weight of 179.12 g/mol.

Molecular Properties

Compound NameCID 174080990
PubChem CID174080990
Molecular FormulaC11H22BN
Molecular Weight179.12 g/mol
Exact Mass179.18
IUPAC Name—
SMILES[B]CCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22BN/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h10H,4-9H2,1-3H3
InChIKeyOIWYMXJHUKREQH-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 52.33
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

1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
1,4,4-Trimethylpiperidine
CID 136794
4-Tert-butyl-1-ethylpiperidine
CID 287952
Piperidine, 4-(1,1-dimethylethyl)-1-methyl-
CID 435047
1,3,4-Trimethylpiperidine
CID 14454423
1-Ethyl-3,3-dimethylpiperidine
CID 21606938
1-[1-Methyl-4-(propan-2-yl)piperidin-4-yl]methanamine
CID 82598285
1-(But-3-yn-1-yl)-3,3,4-trimethylpiperidine
CID 131039745
4-Tert-butyl-1-propan-2-ylpiperidine
CID 12722193
1,4-Ditert-butylpiperidine
CID 12722194
Pentamethylpiperidine
CID 21521028

Frequently Asked Questions

What is the IUPAC name of CID 174080990?
The IUPAC name of CID 174080990 (CID 174080990) is not available.
What is the SMILES notation for CID 174080990?
The canonical SMILES for CID 174080990 is [B]CCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of CID 174080990?
The InChIKey is OIWYMXJHUKREQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BN/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h10H,4-9H2,1-3H3.
What are the key properties of CID 174080990?
CID 174080990 has a molecular weight of 179.12 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174080990 is sourced from PubChem (CID 174080990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).