CID 173468085

C11H20BN — CID 173468085

IUPAC—
SMILES[B]C(C)(C)N=C/C=C(/C)C(C)(C)C
InChIInChI=1S/C11H20BN/c1-9(10(2,3)4)7-8-13-11(5,6)12/h7-8H,1-6H3/b9-7-,13-8?
InChIKeyZYKDATGSLDIHMG-QRMOLKJHSA-N
MW177.10 g/mol
LogP2.95
Rot. Bonds2

About CID 173468085

CID 173468085 (PubChem CID 173468085) has the molecular formula C11H20BN and a molecular weight of 177.10 g/mol.

Molecular Properties

Compound NameCID 173468085
PubChem CID173468085
Molecular FormulaC11H20BN
Molecular Weight177.10 g/mol
Exact Mass177.17
IUPAC Name—
SMILES[B]C(C)(C)N=C/C=C(/C)C(C)(C)C
InChIInChI=1S/C11H20BN/c1-9(10(2,3)4)7-8-13-11(5,6)12/h7-8H,1-6H3/b9-7-,13-8?
InChIKeyZYKDATGSLDIHMG-QRMOLKJHSA-N
XLogP2.95
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 ≤ 52.95
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

(E)-N-ethenyl-3,4,4-trimethylpent-2-en-1-imine
CID 166788364
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
(Z)-N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine
CID 124629013
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
(E)-1-chloro-2,3,3-trimethylbut-1-ene
CID 167165936
(E)-1-bromo-2,3,3-trimethylbut-1-ene
CID 15737642
(5E)-2,6,7,7-tetramethylocta-1,5-diene
CID 144537468
2,2,3-trimethylhept-3-ene
CID 73411222
N,2,2,5,6,6-hexamethylhept-4-en-3-imine
CID 123161539
(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene
CID 5365072
(E)-1-hydroperoxy-2,3,3-trimethylbut-1-ene
CID 18637993
O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine
CID 126587144

Frequently Asked Questions

What is the IUPAC name of CID 173468085?
The IUPAC name of CID 173468085 (CID 173468085) is not available.
What is the SMILES notation for CID 173468085?
The canonical SMILES for CID 173468085 is [B]C(C)(C)N=C/C=C(/C)C(C)(C)C.
What is the InChIKey of CID 173468085?
The InChIKey is ZYKDATGSLDIHMG-QRMOLKJHSA-N. The full InChI is InChI=1S/C11H20BN/c1-9(10(2,3)4)7-8-13-11(5,6)12/h7-8H,1-6H3/b9-7-,13-8?.
What are the key properties of CID 173468085?
CID 173468085 has a molecular weight of 177.10 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173468085 is sourced from PubChem (CID 173468085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).