4-aminocubane-1-carbonitrile;hydrochloride

C9H9ClN2 — CID 146154690

IUPAC4-aminocubane-1-carbonitrile;hydrochloride
SMILESCl.N#CC12C3C4C1C1C2C3C41N
InChIInChI=1S/C9H8N2.ClH/c10-1-8-2-5-3(8)7-4(8)6(2)9(5,7)11;/h2-7H,11H2;1H
InChIKeyPUIIYRDSIIULSV-UHFFFAOYSA-N
MW180.64 g/mol
LogP0.38
Rot. Bonds

About 4-aminocubane-1-carbonitrile;hydrochloride

4-aminocubane-1-carbonitrile;hydrochloride (PubChem CID 146154690) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 4-aminocubane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-aminocubane-1-carbonitrile;hydrochloride
PubChem CID146154690
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name4-aminocubane-1-carbonitrile;hydrochloride
SMILESCl.N#CC12C3C4C1C1C2C3C41N
InChIInChI=1S/C9H8N2.ClH/c10-1-8-2-5-3(8)7-4(8)6(2)9(5,7)11;/h2-7H,11H2;1H
InChIKeyPUIIYRDSIIULSV-UHFFFAOYSA-N
XLogP0.38
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminocubane-1-carbonitrile;hydrochloride?
The IUPAC name of 4-aminocubane-1-carbonitrile;hydrochloride (CID 146154690) is 4-aminocubane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 4-aminocubane-1-carbonitrile;hydrochloride?
The canonical SMILES for 4-aminocubane-1-carbonitrile;hydrochloride is Cl.N#CC12C3C4C1C1C2C3C41N.
What is the InChIKey of 4-aminocubane-1-carbonitrile;hydrochloride?
The InChIKey is PUIIYRDSIIULSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.ClH/c10-1-8-2-5-3(8)7-4(8)6(2)9(5,7)11;/h2-7H,11H2;1H.
What are the key properties of 4-aminocubane-1-carbonitrile;hydrochloride?
4-aminocubane-1-carbonitrile;hydrochloride has a molecular weight of 180.64 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocubane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 146154690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).