2-(aminomethyl)-2-butylhexan-1-ol

C11H25NO — CID 11658412

IUPAC2-(aminomethyl)-2-butylhexan-1-ol
SMILESCCCCC(CN)(CO)CCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-11(9-12,10-13)8-6-4-2/h13H,3-10,12H2,1-2H3
InChIKeyYTZKHHWSHJXZKG-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.30
Rot. Bonds8

About 2-(aminomethyl)-2-butylhexan-1-ol

2-(aminomethyl)-2-butylhexan-1-ol (PubChem CID 11658412) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-butylhexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-butylhexan-1-ol
PubChem CID11658412
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(aminomethyl)-2-butylhexan-1-ol
SMILESCCCCC(CN)(CO)CCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-11(9-12,10-13)8-6-4-2/h13H,3-10,12H2,1-2H3
InChIKeyYTZKHHWSHJXZKG-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-butylhexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-butylhexan-1-ol (CID 11658412) is 2-(aminomethyl)-2-butylhexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-butylhexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-butylhexan-1-ol is CCCCC(CN)(CO)CCCC.
What is the InChIKey of 2-(aminomethyl)-2-butylhexan-1-ol?
The InChIKey is YTZKHHWSHJXZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-5-7-11(9-12,10-13)8-6-4-2/h13H,3-10,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-butylhexan-1-ol?
2-(aminomethyl)-2-butylhexan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-butylhexan-1-ol is sourced from PubChem (CID 11658412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).