2-tert-butyloxan-3-amine;hydrochloride

C9H20ClNO — CID 139026529

IUPAC2-tert-butyloxan-3-amine;hydrochloride
SMILESCC(C)(C)C1OCCCC1N.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)8-7(10)5-4-6-11-8;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyNZFMYAOGJZIFIW-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.96
Rot. Bonds

About 2-tert-butyloxan-3-amine;hydrochloride

2-tert-butyloxan-3-amine;hydrochloride (PubChem CID 139026529) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 2-tert-butyloxan-3-amine;hydrochloride.

Molecular Properties

Compound Name2-tert-butyloxan-3-amine;hydrochloride
PubChem CID139026529
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name2-tert-butyloxan-3-amine;hydrochloride
SMILESCC(C)(C)C1OCCCC1N.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)8-7(10)5-4-6-11-8;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyNZFMYAOGJZIFIW-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyloxan-3-amine;hydrochloride?
The IUPAC name of 2-tert-butyloxan-3-amine;hydrochloride (CID 139026529) is 2-tert-butyloxan-3-amine;hydrochloride.
What is the SMILES notation for 2-tert-butyloxan-3-amine;hydrochloride?
The canonical SMILES for 2-tert-butyloxan-3-amine;hydrochloride is CC(C)(C)C1OCCCC1N.Cl.
What is the InChIKey of 2-tert-butyloxan-3-amine;hydrochloride?
The InChIKey is NZFMYAOGJZIFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2,3)8-7(10)5-4-6-11-8;/h7-8H,4-6,10H2,1-3H3;1H.
What are the key properties of 2-tert-butyloxan-3-amine;hydrochloride?
2-tert-butyloxan-3-amine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyloxan-3-amine;hydrochloride is sourced from PubChem (CID 139026529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).