(1S)-1-(oxan-4-yl)ethanamine;hydrochloride

C7H16ClNO — CID 67034328

IUPAC(1S)-1-(oxan-4-yl)ethanamine;hydrochloride
SMILESC[C@H](N)C1CCOCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(8)7-2-4-9-5-3-7;/h6-7H,2-5,8H2,1H3;1H/t6-;/m0./s1
InChIKeyKDFIFVOGSYITNL-RGMNGODLSA-N
MW165.66 g/mol
LogP1.18
Rot. Bonds1

About (1S)-1-(oxan-4-yl)ethanamine;hydrochloride

(1S)-1-(oxan-4-yl)ethanamine;hydrochloride (PubChem CID 67034328) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (1S)-1-(oxan-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(oxan-4-yl)ethanamine;hydrochloride
PubChem CID67034328
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(1S)-1-(oxan-4-yl)ethanamine;hydrochloride
SMILESC[C@H](N)C1CCOCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(8)7-2-4-9-5-3-7;/h6-7H,2-5,8H2,1H3;1H/t6-;/m0./s1
InChIKeyKDFIFVOGSYITNL-RGMNGODLSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Aminomethyltetrahydropyran
CID 2773210
1-(Oxan-4-yl)ethan-1-amine
CID 21054631
Methyl((oxan-4-yl)methyl)amine hydrochloride
CID 22737007
(Oxan-4-yl)methanamine hydrochloride
CID 44118690
2-(Oxan-4-yl)ethan-1-amine hydrochloride
CID 44118695
Methyl(1-(oxan-4-yl)ethyl)amine
CID 57526871
(R)-1-(Tetrahydro-2H-pyran-4-YL)ethanamine
CID 58368062
(S)-1-(Tetrahydro-2H-pyran-4-YL)ethanamine
CID 67033300
(1R)-1-(oxan-4-yl)ethan-1-amine hydrochloride
CID 67034028
3-Methyloxan-4-amine hydrochloride
CID 67385715
1-(Oxolan-3-yl)ethan-1-amine hydrochloride
CID 91662865
(3-Methyloxan-4-yl)methanamine
CID 76224324

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(oxan-4-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(oxan-4-yl)ethanamine;hydrochloride (CID 67034328) is (1S)-1-(oxan-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(oxan-4-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(oxan-4-yl)ethanamine;hydrochloride is C[C@H](N)C1CCOCC1.Cl.
What is the InChIKey of (1S)-1-(oxan-4-yl)ethanamine;hydrochloride?
The InChIKey is KDFIFVOGSYITNL-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6(8)7-2-4-9-5-3-7;/h6-7H,2-5,8H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(oxan-4-yl)ethanamine;hydrochloride?
(1S)-1-(oxan-4-yl)ethanamine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(oxan-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 67034328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).