3-(aminomethyl)-5-methylhexan-1-ol

C8H19NO — CID 56828127

IUPAC3-(aminomethyl)-5-methylhexan-1-ol
SMILESCC(C)CC(CN)CCO
InChIInChI=1S/C8H19NO/c1-7(2)5-8(6-9)3-4-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyKOHNSJBPXZDCHN-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.99
Rot. Bonds5

About 3-(aminomethyl)-5-methylhexan-1-ol

3-(aminomethyl)-5-methylhexan-1-ol (PubChem CID 56828127) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-5-methylhexan-1-ol
PubChem CID56828127
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-(aminomethyl)-5-methylhexan-1-ol
SMILESCC(C)CC(CN)CCO
InChIInChI=1S/C8H19NO/c1-7(2)5-8(6-9)3-4-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyKOHNSJBPXZDCHN-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methylhexan-1-ol?
The IUPAC name of 3-(aminomethyl)-5-methylhexan-1-ol (CID 56828127) is 3-(aminomethyl)-5-methylhexan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-5-methylhexan-1-ol?
The canonical SMILES for 3-(aminomethyl)-5-methylhexan-1-ol is CC(C)CC(CN)CCO.
What is the InChIKey of 3-(aminomethyl)-5-methylhexan-1-ol?
The InChIKey is KOHNSJBPXZDCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(2)5-8(6-9)3-4-10/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-methylhexan-1-ol?
3-(aminomethyl)-5-methylhexan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methylhexan-1-ol is sourced from PubChem (CID 56828127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).