2-(aminomethyl)-4-methyl-2-propylhexan-1-ol

C11H25NO — CID 106506327

IUPAC2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
SMILESCCCC(CN)(CO)CC(C)CC
InChIInChI=1S/C11H25NO/c1-4-6-11(8-12,9-13)7-10(3)5-2/h10,13H,4-9,12H2,1-3H3
InChIKeyICYUMVUNSGYVKA-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.16
Rot. Bonds7

About 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol

2-(aminomethyl)-4-methyl-2-propylhexan-1-ol (PubChem CID 106506327) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
PubChem CID106506327
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
SMILESCCCC(CN)(CO)CC(C)CC
InChIInChI=1S/C11H25NO/c1-4-6-11(8-12,9-13)7-10(3)5-2/h10,13H,4-9,12H2,1-3H3
InChIKeyICYUMVUNSGYVKA-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol (CID 106506327) is 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol is CCCC(CN)(CO)CC(C)CC.
What is the InChIKey of 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol?
The InChIKey is ICYUMVUNSGYVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-11(8-12,9-13)7-10(3)5-2/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol?
2-(aminomethyl)-4-methyl-2-propylhexan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-2-propylhexan-1-ol is sourced from PubChem (CID 106506327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).