4-propyloxan-4-amine;hydrochloride

C8H18ClNO — CID 170911901

IUPAC4-propyloxan-4-amine;hydrochloride
SMILESCCCC1(N)CCOCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-3-8(9)4-6-10-7-5-8;/h2-7,9H2,1H3;1H
InChIKeyLYMIOVOWAZVHDB-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.72
Rot. Bonds2

About 4-propyloxan-4-amine;hydrochloride

4-propyloxan-4-amine;hydrochloride (PubChem CID 170911901) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 4-propyloxan-4-amine;hydrochloride.

Molecular Properties

Compound Name4-propyloxan-4-amine;hydrochloride
PubChem CID170911901
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name4-propyloxan-4-amine;hydrochloride
SMILESCCCC1(N)CCOCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-3-8(9)4-6-10-7-5-8;/h2-7,9H2,1H3;1H
InChIKeyLYMIOVOWAZVHDB-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyloxan-4-amine;hydrochloride?
The IUPAC name of 4-propyloxan-4-amine;hydrochloride (CID 170911901) is 4-propyloxan-4-amine;hydrochloride.
What is the SMILES notation for 4-propyloxan-4-amine;hydrochloride?
The canonical SMILES for 4-propyloxan-4-amine;hydrochloride is CCCC1(N)CCOCC1.Cl.
What is the InChIKey of 4-propyloxan-4-amine;hydrochloride?
The InChIKey is LYMIOVOWAZVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-2-3-8(9)4-6-10-7-5-8;/h2-7,9H2,1H3;1H.
What are the key properties of 4-propyloxan-4-amine;hydrochloride?
4-propyloxan-4-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyloxan-4-amine;hydrochloride is sourced from PubChem (CID 170911901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).