2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride

C7H18ClNO — CID 91641956

IUPAC2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride
SMILESCC(C)CC(CN)CO.Cl
InChIInChI=1S/C7H17NO.ClH/c1-6(2)3-7(4-8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H
InChIKeyFTQIQPCDTWPGBP-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.02
Rot. Bonds4

About 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride

2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride (PubChem CID 91641956) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride
PubChem CID91641956
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride
SMILESCC(C)CC(CN)CO.Cl
InChIInChI=1S/C7H17NO.ClH/c1-6(2)3-7(4-8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H
InChIKeyFTQIQPCDTWPGBP-UHFFFAOYSA-N
XLogP1.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride (CID 91641956) is 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride is CC(C)CC(CN)CO.Cl.
What is the InChIKey of 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride?
The InChIKey is FTQIQPCDTWPGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-6(2)3-7(4-8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H.
What are the key properties of 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride?
2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methylpentan-1-ol;hydrochloride is sourced from PubChem (CID 91641956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).