4-methoxy-4-methylpentan-1-amine;hydrochloride

C7H18ClNO — CID 118005724

IUPAC4-methoxy-4-methylpentan-1-amine;hydrochloride
SMILESCOC(C)(C)CCCN.Cl
InChIInChI=1S/C7H17NO.ClH/c1-7(2,9-3)5-4-6-8;/h4-6,8H2,1-3H3;1H
InChIKeyYNYQEXJZIWAOHZ-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.57
Rot. Bonds4

About 4-methoxy-4-methylpentan-1-amine;hydrochloride

4-methoxy-4-methylpentan-1-amine;hydrochloride (PubChem CID 118005724) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 4-methoxy-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-4-methylpentan-1-amine;hydrochloride
PubChem CID118005724
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name4-methoxy-4-methylpentan-1-amine;hydrochloride
SMILESCOC(C)(C)CCCN.Cl
InChIInChI=1S/C7H17NO.ClH/c1-7(2,9-3)5-4-6-8;/h4-6,8H2,1-3H3;1H
InChIKeyYNYQEXJZIWAOHZ-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of 4-methoxy-4-methylpentan-1-amine;hydrochloride (CID 118005724) is 4-methoxy-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for 4-methoxy-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for 4-methoxy-4-methylpentan-1-amine;hydrochloride is COC(C)(C)CCCN.Cl.
What is the InChIKey of 4-methoxy-4-methylpentan-1-amine;hydrochloride?
The InChIKey is YNYQEXJZIWAOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-7(2,9-3)5-4-6-8;/h4-6,8H2,1-3H3;1H.
What are the key properties of 4-methoxy-4-methylpentan-1-amine;hydrochloride?
4-methoxy-4-methylpentan-1-amine;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 118005724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).