2-(2-methylpropyl)oxan-3-amine;hydrochloride

C9H20ClNO — CID 75423686

IUPAC2-(2-methylpropyl)oxan-3-amine;hydrochloride
SMILESCC(C)CC1OCCCC1N.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(2)6-9-8(10)4-3-5-11-9;/h7-9H,3-6,10H2,1-2H3;1H
InChIKeyDMQAEGCNMYRAFJ-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.96
Rot. Bonds2

About 2-(2-methylpropyl)oxan-3-amine;hydrochloride

2-(2-methylpropyl)oxan-3-amine;hydrochloride (PubChem CID 75423686) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 2-(2-methylpropyl)oxan-3-amine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpropyl)oxan-3-amine;hydrochloride
PubChem CID75423686
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name2-(2-methylpropyl)oxan-3-amine;hydrochloride
SMILESCC(C)CC1OCCCC1N.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(2)6-9-8(10)4-3-5-11-9;/h7-9H,3-6,10H2,1-2H3;1H
InChIKeyDMQAEGCNMYRAFJ-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 2-(2-methylpropyl)oxan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)oxan-3-amine;hydrochloride?
The IUPAC name of 2-(2-methylpropyl)oxan-3-amine;hydrochloride (CID 75423686) is 2-(2-methylpropyl)oxan-3-amine;hydrochloride.
What is the SMILES notation for 2-(2-methylpropyl)oxan-3-amine;hydrochloride?
The canonical SMILES for 2-(2-methylpropyl)oxan-3-amine;hydrochloride is CC(C)CC1OCCCC1N.Cl.
What is the InChIKey of 2-(2-methylpropyl)oxan-3-amine;hydrochloride?
The InChIKey is DMQAEGCNMYRAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-7(2)6-9-8(10)4-3-5-11-9;/h7-9H,3-6,10H2,1-2H3;1H.
What are the key properties of 2-(2-methylpropyl)oxan-3-amine;hydrochloride?
2-(2-methylpropyl)oxan-3-amine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)oxan-3-amine;hydrochloride is sourced from PubChem (CID 75423686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).