CID 173468078

C11H20BN — CID 173468078

IUPAC—
SMILES[B]C(C)(C)/C=C(C)\N=C\C(C)(C)C
InChIInChI=1S/C11H20BN/c1-9(7-11(5,6)12)13-8-10(2,3)4/h7-8H,1-6H3/b9-7-,13-8+
InChIKeyKOFDAXDXBDFISL-OKFFXAGVSA-N
MW177.10 g/mol
LogP3.37
Rot. Bonds2

About CID 173468078

CID 173468078 (PubChem CID 173468078) has the molecular formula C11H20BN and a molecular weight of 177.10 g/mol.

Molecular Properties

Compound NameCID 173468078
PubChem CID173468078
Molecular FormulaC11H20BN
Molecular Weight177.10 g/mol
Exact Mass177.17
IUPAC Name—
SMILES[B]C(C)(C)/C=C(C)\N=C\C(C)(C)C
InChIInChI=1S/C11H20BN/c1-9(7-11(5,6)12)13-8-10(2,3)4/h7-8H,1-6H3/b9-7-,13-8+
InChIKeyKOFDAXDXBDFISL-OKFFXAGVSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.10
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine;2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
CID 161135857
methyl N-(2,2-dimethylpropylidene)carbamimidate
CID 154035854
(E)-2-azido-4,4-dimethylpent-2-ene
CID 134986194
(2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid
CID 166117446
CID 173468085
CID 173468085
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
CID 142313282
CID 142313282
(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
CID 59179886
CID 142215030
CID 142215030
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
[(Z)-but-2-en-2-yl]-(2-methylbutan-2-yl)diazene
CID 135258495

Frequently Asked Questions

What is the IUPAC name of CID 173468078?
The IUPAC name of CID 173468078 (CID 173468078) is not available.
What is the SMILES notation for CID 173468078?
The canonical SMILES for CID 173468078 is [B]C(C)(C)/C=C(C)\N=C\C(C)(C)C.
What is the InChIKey of CID 173468078?
The InChIKey is KOFDAXDXBDFISL-OKFFXAGVSA-N. The full InChI is InChI=1S/C11H20BN/c1-9(7-11(5,6)12)13-8-10(2,3)4/h7-8H,1-6H3/b9-7-,13-8+.
What are the key properties of CID 173468078?
CID 173468078 has a molecular weight of 177.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173468078 is sourced from PubChem (CID 173468078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).