(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride

C10H18ClN — CID 72819498

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride
SMILESCC12CCC(CC1=[NH2+])C2(C)C.[Cl-]
InChIInChI=1S/C10H17N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7,11H,4-6H2,1-3H3;1H
InChIKeyLCGZHHYVUCXZFM-UHFFFAOYSA-N
MW187.71 g/mol
LogP-1.96
Rot. Bonds

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride (PubChem CID 72819498) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride
PubChem CID72819498
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride
SMILESCC12CCC(CC1=[NH2+])C2(C)C.[Cl-]
InChIInChI=1S/C10H17N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7,11H,4-6H2,1-3H3;1H
InChIKeyLCGZHHYVUCXZFM-UHFFFAOYSA-N
XLogP-1.96
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride (CID 72819498) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride is CC12CCC(CC1=[NH2+])C2(C)C.[Cl-].
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride?
The InChIKey is LCGZHHYVUCXZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7,11H,4-6H2,1-3H3;1H.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride has a molecular weight of 187.71 g/mol, XLogP of -1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride is sourced from PubChem (CID 72819498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).