N-ethoxy-2-methylbutan-2-amine;hydrochloride

C7H18ClNO — CID 87795625

IUPACN-ethoxy-2-methylbutan-2-amine;hydrochloride
SMILESCCONC(C)(C)CC.Cl
InChIInChI=1S/C7H17NO.ClH/c1-5-7(3,4)8-9-6-2;/h8H,5-6H2,1-4H3;1H
InChIKeyOSCPWWLRJCCKBR-UHFFFAOYSA-N
MW167.68 g/mol
LogP2.14
Rot. Bonds4

About N-ethoxy-2-methylbutan-2-amine;hydrochloride

N-ethoxy-2-methylbutan-2-amine;hydrochloride (PubChem CID 87795625) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is N-ethoxy-2-methylbutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethoxy-2-methylbutan-2-amine;hydrochloride
PubChem CID87795625
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC NameN-ethoxy-2-methylbutan-2-amine;hydrochloride
SMILESCCONC(C)(C)CC.Cl
InChIInChI=1S/C7H17NO.ClH/c1-5-7(3,4)8-9-6-2;/h8H,5-6H2,1-4H3;1H
InChIKeyOSCPWWLRJCCKBR-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methylbutan-2-amine;hydrochloride?
The IUPAC name of N-ethoxy-2-methylbutan-2-amine;hydrochloride (CID 87795625) is N-ethoxy-2-methylbutan-2-amine;hydrochloride.
What is the SMILES notation for N-ethoxy-2-methylbutan-2-amine;hydrochloride?
The canonical SMILES for N-ethoxy-2-methylbutan-2-amine;hydrochloride is CCONC(C)(C)CC.Cl.
What is the InChIKey of N-ethoxy-2-methylbutan-2-amine;hydrochloride?
The InChIKey is OSCPWWLRJCCKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-5-7(3,4)8-9-6-2;/h8H,5-6H2,1-4H3;1H.
What are the key properties of N-ethoxy-2-methylbutan-2-amine;hydrochloride?
N-ethoxy-2-methylbutan-2-amine;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylbutan-2-amine;hydrochloride is sourced from PubChem (CID 87795625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).