2-(aminomethyl)-3-methylpentan-1-ol

C7H17NO — CID 79423352

IUPAC2-(aminomethyl)-3-methylpentan-1-ol
SMILESCCC(C)C(CN)CO
InChIInChI=1S/C7H17NO/c1-3-6(2)7(4-8)5-9/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWBHVSOMGZMDOHJ-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.60
Rot. Bonds4

About 2-(aminomethyl)-3-methylpentan-1-ol

2-(aminomethyl)-3-methylpentan-1-ol (PubChem CID 79423352) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methylpentan-1-ol
PubChem CID79423352
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-(aminomethyl)-3-methylpentan-1-ol
SMILESCCC(C)C(CN)CO
InChIInChI=1S/C7H17NO/c1-3-6(2)7(4-8)5-9/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWBHVSOMGZMDOHJ-UHFFFAOYSA-N
XLogP0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methylpentan-1-ol (CID 79423352) is 2-(aminomethyl)-3-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methylpentan-1-ol is CCC(C)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-methylpentan-1-ol?
The InChIKey is WBHVSOMGZMDOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-6(2)7(4-8)5-9/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-methylpentan-1-ol?
2-(aminomethyl)-3-methylpentan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methylpentan-1-ol is sourced from PubChem (CID 79423352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).