CID 166489938

C8H19BN2 — CID 166489938

IUPAC—
SMILES[B]N(C)C(C)CN(C)C(C)C
InChIInChI=1S/C8H19BN2/c1-7(2)10(4)6-8(3)11(5)9/h7-8H,6H2,1-5H3
InChIKeyZGFUAQJCRQPQFW-UHFFFAOYSA-N
MW154.07 g/mol
LogP0.73
Rot. Bonds4

About CID 166489938

CID 166489938 (PubChem CID 166489938) has the molecular formula C8H19BN2 and a molecular weight of 154.07 g/mol.

Molecular Properties

Compound NameCID 166489938
PubChem CID166489938
Molecular FormulaC8H19BN2
Molecular Weight154.07 g/mol
Exact Mass154.16
IUPAC Name—
SMILES[B]N(C)C(C)CN(C)C(C)C
InChIInChI=1S/C8H19BN2/c1-7(2)10(4)6-8(3)11(5)9/h7-8H,6H2,1-5H3
InChIKeyZGFUAQJCRQPQFW-UHFFFAOYSA-N
XLogP0.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.07
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 166781330
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
CID 43367383
3-N-methyl-3-N-propan-2-ylpropane-1,2,3-triamine
CID 115119484
N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine
CID 126577485
1-N,4-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
CID 43199687
N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane
CID 142151836
1-N,3,3-trimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 16795578
2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
CID 54475032

Frequently Asked Questions

What is the IUPAC name of CID 166489938?
The IUPAC name of CID 166489938 (CID 166489938) is not available.
What is the SMILES notation for CID 166489938?
The canonical SMILES for CID 166489938 is [B]N(C)C(C)CN(C)C(C)C.
What is the InChIKey of CID 166489938?
The InChIKey is ZGFUAQJCRQPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BN2/c1-7(2)10(4)6-8(3)11(5)9/h7-8H,6H2,1-5H3.
What are the key properties of CID 166489938?
CID 166489938 has a molecular weight of 154.07 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166489938 is sourced from PubChem (CID 166489938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).