1-(oxan-4-yl)propan-2-amine;hydrochloride

C8H18ClNO — CID 68720808

IUPAC1-(oxan-4-yl)propan-2-amine;hydrochloride
SMILESCC(N)CC1CCOCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(9)6-8-2-4-10-5-3-8;/h7-8H,2-6,9H2,1H3;1H
InChIKeyWRDHCSRNQXUDMV-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.57
Rot. Bonds2

About 1-(oxan-4-yl)propan-2-amine;hydrochloride

1-(oxan-4-yl)propan-2-amine;hydrochloride (PubChem CID 68720808) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 1-(oxan-4-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(oxan-4-yl)propan-2-amine;hydrochloride
PubChem CID68720808
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name1-(oxan-4-yl)propan-2-amine;hydrochloride
SMILESCC(N)CC1CCOCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(9)6-8-2-4-10-5-3-8;/h7-8H,2-6,9H2,1H3;1H
InChIKeyWRDHCSRNQXUDMV-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(oxan-4-yl)propan-2-amine;hydrochloride (CID 68720808) is 1-(oxan-4-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(oxan-4-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(oxan-4-yl)propan-2-amine;hydrochloride is CC(N)CC1CCOCC1.Cl.
What is the InChIKey of 1-(oxan-4-yl)propan-2-amine;hydrochloride?
The InChIKey is WRDHCSRNQXUDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-7(9)6-8-2-4-10-5-3-8;/h7-8H,2-6,9H2,1H3;1H.
What are the key properties of 1-(oxan-4-yl)propan-2-amine;hydrochloride?
1-(oxan-4-yl)propan-2-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 68720808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).