CID 59853765

C6H14BN — CID 59853765

IUPAC—
SMILES[B]C[C@@H](CC)NCC
InChIInChI=1S/C6H14BN/c1-3-6(5-7)8-4-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyVMIOAFBZYGFLKI-ZCFIWIBFSA-N
MW111.00 g/mol
LogP0.96
Rot. Bonds4

About CID 59853765

CID 59853765 (PubChem CID 59853765) has the molecular formula C6H14BN and a molecular weight of 111.00 g/mol.

Molecular Properties

Compound NameCID 59853765
PubChem CID59853765
Molecular FormulaC6H14BN
Molecular Weight111.00 g/mol
Exact Mass111.12
IUPAC Name—
SMILES[B]C[C@@H](CC)NCC
InChIInChI=1S/C6H14BN/c1-3-6(5-7)8-4-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyVMIOAFBZYGFLKI-ZCFIWIBFSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.00
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1,1,1-trifluoropentan-3-amine
CID 55149830
N-ethylhex-5-yn-3-amine
CID 62233887
N,7-diethylnonan-3-amine
CID 82925508
N-ethylnonan-3-amine
CID 60996683
1,3-dichloro-N-ethylpropan-2-amine
CID 169225125
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62040549
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
CID 102992396
2-[2-(ethylamino)butylsulfanyl]ethanol
CID 64612947
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
2-(ethylamino)butyl acetate
CID 171564336

Frequently Asked Questions

What is the IUPAC name of CID 59853765?
The IUPAC name of CID 59853765 (CID 59853765) is not available.
What is the SMILES notation for CID 59853765?
The canonical SMILES for CID 59853765 is [B]C[C@@H](CC)NCC.
What is the InChIKey of CID 59853765?
The InChIKey is VMIOAFBZYGFLKI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14BN/c1-3-6(5-7)8-4-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of CID 59853765?
CID 59853765 has a molecular weight of 111.00 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59853765 is sourced from PubChem (CID 59853765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).