1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride

C10H24ClNO — CID 2839167

IUPAC1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)CC(O)CNC(C)(C)C.Cl
InChIInChI=1S/C10H23NO.ClH/c1-8(2)6-9(12)7-11-10(3,4)5;/h8-9,11-12H,6-7H2,1-5H3;1H
InChIKeySYRZYKVTQVKZLT-UHFFFAOYSA-N
MW209.76 g/mol
LogP2.20
Rot. Bonds4

About 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride

1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride (PubChem CID 2839167) has the molecular formula C10H24ClNO and a molecular weight of 209.76 g/mol. Its IUPAC name is 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride
PubChem CID2839167
Molecular FormulaC10H24ClNO
Molecular Weight209.76 g/mol
Exact Mass209.15
IUPAC Name1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)CC(O)CNC(C)(C)C.Cl
InChIInChI=1S/C10H23NO.ClH/c1-8(2)6-9(12)7-11-10(3,4)5;/h8-9,11-12H,6-7H2,1-5H3;1H
InChIKeySYRZYKVTQVKZLT-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.76
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride (CID 2839167) is 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride is CC(C)CC(O)CNC(C)(C)C.Cl.
What is the InChIKey of 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride?
The InChIKey is SYRZYKVTQVKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO.ClH/c1-8(2)6-9(12)7-11-10(3,4)5;/h8-9,11-12H,6-7H2,1-5H3;1H.
What are the key properties of 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride?
1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride has a molecular weight of 209.76 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-4-methylpentan-2-ol;hydrochloride is sourced from PubChem (CID 2839167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).