2-ethoxybutan-1-amine;hydrochloride

C6H16ClNO — CID 53398977

IUPAC2-ethoxybutan-1-amine;hydrochloride
SMILESCCOC(CC)CN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-3-6(5-7)8-4-2;/h6H,3-5,7H2,1-2H3;1H
InChIKeyHCRHVEMBASIYCO-UHFFFAOYSA-N
MW153.65 g/mol
LogP1.18
Rot. Bonds4

About 2-ethoxybutan-1-amine;hydrochloride

2-ethoxybutan-1-amine;hydrochloride (PubChem CID 53398977) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 2-ethoxybutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-ethoxybutan-1-amine;hydrochloride
PubChem CID53398977
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name2-ethoxybutan-1-amine;hydrochloride
SMILESCCOC(CC)CN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-3-6(5-7)8-4-2;/h6H,3-5,7H2,1-2H3;1H
InChIKeyHCRHVEMBASIYCO-UHFFFAOYSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutan-1-amine;hydrochloride?
The IUPAC name of 2-ethoxybutan-1-amine;hydrochloride (CID 53398977) is 2-ethoxybutan-1-amine;hydrochloride.
What is the SMILES notation for 2-ethoxybutan-1-amine;hydrochloride?
The canonical SMILES for 2-ethoxybutan-1-amine;hydrochloride is CCOC(CC)CN.Cl.
What is the InChIKey of 2-ethoxybutan-1-amine;hydrochloride?
The InChIKey is HCRHVEMBASIYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-3-6(5-7)8-4-2;/h6H,3-5,7H2,1-2H3;1H.
What are the key properties of 2-ethoxybutan-1-amine;hydrochloride?
2-ethoxybutan-1-amine;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutan-1-amine;hydrochloride is sourced from PubChem (CID 53398977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).