CID 145048745

C6H14BN — CID 145048745

IUPAC—
SMILES[B]N(C)CCCCC
InChIInChI=1S/C6H14BN/c1-3-4-5-6-8(2)7/h3-6H2,1-2H3
InChIKeyMTMADEYUNAKQRJ-UHFFFAOYSA-N
MW111.00 g/mol
LogP1.19
Rot. Bonds4

About CID 145048745

CID 145048745 (PubChem CID 145048745) has the molecular formula C6H14BN and a molecular weight of 111.00 g/mol.

Molecular Properties

Compound NameCID 145048745
PubChem CID145048745
Molecular FormulaC6H14BN
Molecular Weight111.00 g/mol
Exact Mass111.12
IUPAC Name—
SMILES[B]N(C)CCCCC
InChIInChI=1S/C6H14BN/c1-3-4-5-6-8(2)7/h3-6H2,1-2H3
InChIKeyMTMADEYUNAKQRJ-UHFFFAOYSA-N
XLogP1.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.00
LogP ≤ 51.19
H-Bond Donors ≤ 50
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

N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N-hexyl-N-methyldodecan-1-amine
CID 139978744

Frequently Asked Questions

What is the IUPAC name of CID 145048745?
The IUPAC name of CID 145048745 (CID 145048745) is not available.
What is the SMILES notation for CID 145048745?
The canonical SMILES for CID 145048745 is [B]N(C)CCCCC.
What is the InChIKey of CID 145048745?
The InChIKey is MTMADEYUNAKQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BN/c1-3-4-5-6-8(2)7/h3-6H2,1-2H3.
What are the key properties of CID 145048745?
CID 145048745 has a molecular weight of 111.00 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145048745 is sourced from PubChem (CID 145048745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).