CID 174952919

C11H22BNO2 — CID 174952919

IUPAC—
SMILES[B]OC(=O)C(CCCC)CCCN(C)C
InChIInChI=1S/C11H22BNO2/c1-4-5-7-10(11(14)15-12)8-6-9-13(2)3/h10H,4-9H2,1-3H3
InChIKeyYXABQJRDPLIWKF-UHFFFAOYSA-N
MW211.11 g/mol
LogP1.76
Rot. Bonds8

About CID 174952919

CID 174952919 (PubChem CID 174952919) has the molecular formula C11H22BNO2 and a molecular weight of 211.11 g/mol.

Molecular Properties

Compound NameCID 174952919
PubChem CID174952919
Molecular FormulaC11H22BNO2
Molecular Weight211.11 g/mol
Exact Mass211.17
IUPAC Name—
SMILES[B]OC(=O)C(CCCC)CCCN(C)C
InChIInChI=1S/C11H22BNO2/c1-4-5-7-10(11(14)15-12)8-6-9-13(2)3/h10H,4-9H2,1-3H3
InChIKeyYXABQJRDPLIWKF-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[3-(dimethylamino)propyl]tetradecanoic acid
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CID 174952903
acetic acid;2-[3-(dimethylamino)propyl]octadecanamide
CID 163839968
2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium
CID 88801156
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
CID 174952930
CID 174952930
9-[4-(dimethylamino)butoxy-[9-(2-hexyldecanoyloxy)nonyl]amino]nonyl 2-hexyldecanoate
CID 134498199
2-[4-(dimethylamino)butanoyloxy]tridecyl 2-butyldodecanoate
CID 169320626
butyl 2-butylhexanoate;stannane
CID 172996715

Frequently Asked Questions

What is the IUPAC name of CID 174952919?
The IUPAC name of CID 174952919 (CID 174952919) is not available.
What is the SMILES notation for CID 174952919?
The canonical SMILES for CID 174952919 is [B]OC(=O)C(CCCC)CCCN(C)C.
What is the InChIKey of CID 174952919?
The InChIKey is YXABQJRDPLIWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BNO2/c1-4-5-7-10(11(14)15-12)8-6-9-13(2)3/h10H,4-9H2,1-3H3.
What are the key properties of CID 174952919?
CID 174952919 has a molecular weight of 211.11 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174952919 is sourced from PubChem (CID 174952919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).