CID 159487745

C12H30BN — CID 159487745

IUPAC—
SMILESC.C.[B]C(C)CC(C)CC(C)N(C)C
InChIInChI=1S/C10H22BN.2CH4/c1-8(6-9(2)11)7-10(3)12(4)5;;/h8-10H,6-7H2,1-5H3;2*1H4
InChIKeyORFZCBNXBQHYBE-UHFFFAOYSA-N
MW199.19 g/mol
LogP3.60
Rot. Bonds5

About CID 159487745

CID 159487745 (PubChem CID 159487745) has the molecular formula C12H30BN and a molecular weight of 199.19 g/mol.

Molecular Properties

Compound NameCID 159487745
PubChem CID159487745
Molecular FormulaC12H30BN
Molecular Weight199.19 g/mol
Exact Mass199.25
IUPAC Name—
SMILESC.C.[B]C(C)CC(C)CC(C)N(C)C
InChIInChI=1S/C10H22BN.2CH4/c1-8(6-9(2)11)7-10(3)12(4)5;;/h8-10H,6-7H2,1-5H3;2*1H4
InChIKeyORFZCBNXBQHYBE-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine
CID 174323846
CID 153406840
CID 153406840
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 142726769
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 158257975
1-fluoro-N,N-dimethylpropan-2-amine
CID 123355722
1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine
CID 23505022
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032
propane;2,4,6-trimethylheptane
CID 165013878
CID 20690308
CID 20690308
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 57251767
ethane;N,N,5-trimethylhexan-2-amine
CID 144654908
methane;3-methylpentane
CID 157218592

Frequently Asked Questions

What is the IUPAC name of CID 159487745?
The IUPAC name of CID 159487745 (CID 159487745) is not available.
What is the SMILES notation for CID 159487745?
The canonical SMILES for CID 159487745 is C.C.[B]C(C)CC(C)CC(C)N(C)C.
What is the InChIKey of CID 159487745?
The InChIKey is ORFZCBNXBQHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BN.2CH4/c1-8(6-9(2)11)7-10(3)12(4)5;;/h8-10H,6-7H2,1-5H3;2*1H4.
What are the key properties of CID 159487745?
CID 159487745 has a molecular weight of 199.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159487745 is sourced from PubChem (CID 159487745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).