2-(aminomethyl)-2-propylhexan-1-ol

C10H23NO — CID 106506369

IUPAC2-(aminomethyl)-2-propylhexan-1-ol
SMILESCCCCC(CN)(CO)CCC
InChIInChI=1S/C10H23NO/c1-3-5-7-10(8-11,9-12)6-4-2/h12H,3-9,11H2,1-2H3
InChIKeyYPFWJHKGPPLLFK-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.91
Rot. Bonds7

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

2-(aminomethyl)-2-propylhexan-1-ol (PubChem CID 106506369) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-(aminomethyl)-2-propylhexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-propylhexan-1-ol
PubChem CID106506369
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-(aminomethyl)-2-propylhexan-1-ol
SMILESCCCCC(CN)(CO)CCC
InChIInChI=1S/C10H23NO/c1-3-5-7-10(8-11,9-12)6-4-2/h12H,3-9,11H2,1-2H3
InChIKeyYPFWJHKGPPLLFK-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-propylhexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-propylhexan-1-ol (CID 106506369) is 2-(aminomethyl)-2-propylhexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-propylhexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-propylhexan-1-ol is CCCCC(CN)(CO)CCC.
What is the InChIKey of 2-(aminomethyl)-2-propylhexan-1-ol?
The InChIKey is YPFWJHKGPPLLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-5-7-10(8-11,9-12)6-4-2/h12H,3-9,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-propylhexan-1-ol?
2-(aminomethyl)-2-propylhexan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-propylhexan-1-ol is sourced from PubChem (CID 106506369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).