CID 87866198

C8H19BN — CID 87866198

IUPAC—
SMILESCC[B]N(C(C)C)C(C)C
InChIInChI=1S/C8H19BN/c1-6-9-10(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyKNMAUXCULYOLAU-UHFFFAOYSA-N
MW140.06 g/mol
LogP2.16
Rot. Bonds4

About CID 87866198

CID 87866198 (PubChem CID 87866198) has the molecular formula C8H19BN and a molecular weight of 140.06 g/mol.

Molecular Properties

Compound NameCID 87866198
PubChem CID87866198
Molecular FormulaC8H19BN
Molecular Weight140.06 g/mol
Exact Mass140.16
IUPAC Name—
SMILESCC[B]N(C(C)C)C(C)C
InChIInChI=1S/C8H19BN/c1-6-9-10(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyKNMAUXCULYOLAU-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 52.16
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

CID 54448935
CID 54448935
CID 174379697
CID 174379697
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
CID 59859104
CID 59859104
CID 125471814
CID 125471814
Lithium diisopropylethylamine
CID 86615685
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
CID 172720605
CID 172720605
N-ethyl-N-propan-2-ylmethanethioamide
CID 54443983
ethenone;N-ethyl-N-propan-2-ylpropan-2-amine
CID 91070858
N-diethylsilylsilyl-N-propan-2-ylpropan-2-amine
CID 150936348

Frequently Asked Questions

What is the IUPAC name of CID 87866198?
The IUPAC name of CID 87866198 (CID 87866198) is not available.
What is the SMILES notation for CID 87866198?
The canonical SMILES for CID 87866198 is CC[B]N(C(C)C)C(C)C.
What is the InChIKey of CID 87866198?
The InChIKey is KNMAUXCULYOLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BN/c1-6-9-10(7(2)3)8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of CID 87866198?
CID 87866198 has a molecular weight of 140.06 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87866198 is sourced from PubChem (CID 87866198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).