3-(aminomethyl)-6-methoxyhexan-3-ol

C8H19NO2 — CID 114852603

IUPAC3-(aminomethyl)-6-methoxyhexan-3-ol
SMILESCCC(O)(CN)CCCOC
InChIInChI=1S/C8H19NO2/c1-3-8(10,7-9)5-4-6-11-2/h10H,3-7,9H2,1-2H3
InChIKeyWHJFJTVNLOGPLC-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.51
Rot. Bonds6

About 3-(aminomethyl)-6-methoxyhexan-3-ol

3-(aminomethyl)-6-methoxyhexan-3-ol (PubChem CID 114852603) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methoxyhexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-methoxyhexan-3-ol
PubChem CID114852603
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name3-(aminomethyl)-6-methoxyhexan-3-ol
SMILESCCC(O)(CN)CCCOC
InChIInChI=1S/C8H19NO2/c1-3-8(10,7-9)5-4-6-11-2/h10H,3-7,9H2,1-2H3
InChIKeyWHJFJTVNLOGPLC-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
CID 106811572
3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol
CID 114852616
6-methoxy-3-methylhexan-3-ol
CID 114851780
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
CID 106811374
3-(aminomethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]hexan-3-ol
CID 106811541
3-(aminomethyl)-6-(2-methylpropylsulfanyl)hexan-3-ol
CID 106811645
6-methoxy-2-methyl-2-propylhexan-1-amine
CID 104649289
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
CID 106811265
3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol
CID 106811372
1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methoxyhexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-methoxyhexan-3-ol (CID 114852603) is 3-(aminomethyl)-6-methoxyhexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-methoxyhexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-methoxyhexan-3-ol is CCC(O)(CN)CCCOC.
What is the InChIKey of 3-(aminomethyl)-6-methoxyhexan-3-ol?
The InChIKey is WHJFJTVNLOGPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-8(10,7-9)5-4-6-11-2/h10H,3-7,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-methoxyhexan-3-ol?
3-(aminomethyl)-6-methoxyhexan-3-ol has a molecular weight of 161.24 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methoxyhexan-3-ol is sourced from PubChem (CID 114852603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).