CID 89340269

C12H26BN — CID 89340269

IUPAC—
SMILES[B]C(C)(C)CCCCC(C)(N)CCC
InChIInChI=1S/C12H26BN/c1-5-8-12(4,14)10-7-6-9-11(2,3)13/h5-10,14H2,1-4H3
InChIKeyILLVPLYADGAHCX-UHFFFAOYSA-N
MW195.16 g/mol
LogP3.43
Rot. Bonds7

About CID 89340269

CID 89340269 (PubChem CID 89340269) has the molecular formula C12H26BN and a molecular weight of 195.16 g/mol.

Molecular Properties

Compound NameCID 89340269
PubChem CID89340269
Molecular FormulaC12H26BN
Molecular Weight195.16 g/mol
Exact Mass195.22
IUPAC Name—
SMILES[B]C(C)(C)CCCCC(C)(N)CCC
InChIInChI=1S/C12H26BN/c1-5-8-12(4,14)10-7-6-9-11(2,3)13/h5-10,14H2,1-4H3
InChIKeyILLVPLYADGAHCX-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4,11-dimethyl-11-propyltetradecan-4-amine
CID 155476755
CID 173358387
CID 173358387
3-amino-3-methyloctan-1-ol
CID 80558733
3-methyloctadecan-3-amine
CID 54058172
2-methyloctane-1,2-diamine
CID 43519506
1-methoxy-3-methyldodecan-3-amine
CID 62620545
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070
2,7-dimethyloctane-1,2,7,8-tetramine
CID 54453561
2-amino-2-methylhexadecan-1-ol
CID 87201246
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639

Frequently Asked Questions

What is the IUPAC name of CID 89340269?
The IUPAC name of CID 89340269 (CID 89340269) is not available.
What is the SMILES notation for CID 89340269?
The canonical SMILES for CID 89340269 is [B]C(C)(C)CCCCC(C)(N)CCC.
What is the InChIKey of CID 89340269?
The InChIKey is ILLVPLYADGAHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BN/c1-5-8-12(4,14)10-7-6-9-11(2,3)13/h5-10,14H2,1-4H3.
What are the key properties of CID 89340269?
CID 89340269 has a molecular weight of 195.16 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89340269 is sourced from PubChem (CID 89340269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).