CID 89324812

C5H12BNO — CID 89324812

IUPAC—
SMILES[B]CCNCCOC
InChIInChI=1S/C5H12BNO/c1-8-5-4-7-3-2-6/h7H,2-5H2,1H3
InChIKeyFEFCSXNIMXCZQS-UHFFFAOYSA-N
MW112.97 g/mol
LogP-0.19
Rot. Bonds5

About CID 89324812

CID 89324812 (PubChem CID 89324812) has the molecular formula C5H12BNO and a molecular weight of 112.97 g/mol.

Molecular Properties

Compound NameCID 89324812
PubChem CID89324812
Molecular FormulaC5H12BNO
Molecular Weight112.97 g/mol
Exact Mass113.10
IUPAC Name—
SMILES[B]CCNCCOC
InChIInChI=1S/C5H12BNO/c1-8-5-4-7-3-2-6/h7H,2-5H2,1H3
InChIKeyFEFCSXNIMXCZQS-UHFFFAOYSA-N
XLogP-0.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.97
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
CID 59347744
CID 59347744
N-(2-chloroethyl)-2-methoxyethanamine
CID 64980906
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
CID 177329395
CID 177329395
2-(2-methoxyethylamino)ethyl-methylazanide
CID 88554116
2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
CID 55092755
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 83030295

Frequently Asked Questions

What is the IUPAC name of CID 89324812?
The IUPAC name of CID 89324812 (CID 89324812) is not available.
What is the SMILES notation for CID 89324812?
The canonical SMILES for CID 89324812 is [B]CCNCCOC.
What is the InChIKey of CID 89324812?
The InChIKey is FEFCSXNIMXCZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BNO/c1-8-5-4-7-3-2-6/h7H,2-5H2,1H3.
What are the key properties of CID 89324812?
CID 89324812 has a molecular weight of 112.97 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89324812 is sourced from PubChem (CID 89324812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).