(2R)-1-methoxybut-3-en-2-amine;hydrochloride

C5H12ClNO — CID 90034667

IUPAC(2R)-1-methoxybut-3-en-2-amine;hydrochloride
SMILESC=C[C@@H](N)COC.Cl
InChIInChI=1S/C5H11NO.ClH/c1-3-5(6)4-7-2;/h3,5H,1,4,6H2,2H3;1H/t5-;/m1./s1
InChIKeyWPQYQMLCCSOBRR-NUBCRITNSA-N
MW137.61 g/mol
LogP0.57
Rot. Bonds3

About (2R)-1-methoxybut-3-en-2-amine;hydrochloride

(2R)-1-methoxybut-3-en-2-amine;hydrochloride (PubChem CID 90034667) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (2R)-1-methoxybut-3-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-methoxybut-3-en-2-amine;hydrochloride
PubChem CID90034667
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(2R)-1-methoxybut-3-en-2-amine;hydrochloride
SMILESC=C[C@@H](N)COC.Cl
InChIInChI=1S/C5H11NO.ClH/c1-3-5(6)4-7-2;/h3,5H,1,4,6H2,2H3;1H/t5-;/m1./s1
InChIKeyWPQYQMLCCSOBRR-NUBCRITNSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methoxybut-3-en-2-amine
CID 65576187
Vinyl-2-aminoethyl ether
CID 88831914
(2R)-1-(tributylstannylmethoxy)but-3-en-2-amine
CID 138970523
1-Methoxypent-4-en-2-amine
CID 61552883
2-(But-3-en-1-yloxy)ethan-1-amine
CID 62443041
1-methoxy-N-methylbut-3-en-2-amine
CID 65576189
1-Ethoxybut-3-en-2-amine
CID 65667809
(2R)-4-methoxybut-3-en-2-amine;hydrochloride
CID 90034670
(2S)-1-methoxypent-4-en-2-amine
CID 94241337
2,3-Dihydrofuran-3-amine
CID 131082430
4-Methoxybut-3-en-2-amine
CID 173965330
(2S)-N-ethyl-1-methoxybut-3-en-2-amine
CID 176972772

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxybut-3-en-2-amine;hydrochloride?
The IUPAC name of (2R)-1-methoxybut-3-en-2-amine;hydrochloride (CID 90034667) is (2R)-1-methoxybut-3-en-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-methoxybut-3-en-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-methoxybut-3-en-2-amine;hydrochloride is C=C[C@@H](N)COC.Cl.
What is the InChIKey of (2R)-1-methoxybut-3-en-2-amine;hydrochloride?
The InChIKey is WPQYQMLCCSOBRR-NUBCRITNSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-3-5(6)4-7-2;/h3,5H,1,4,6H2,2H3;1H/t5-;/m1./s1.
What are the key properties of (2R)-1-methoxybut-3-en-2-amine;hydrochloride?
(2R)-1-methoxybut-3-en-2-amine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxybut-3-en-2-amine;hydrochloride is sourced from PubChem (CID 90034667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).