6-(methylamino)hexan-1-ol

C7H17NO — CID 10942457

IUPAC6-(methylamino)hexan-1-ol
SMILESCNCCCCCCO
InChIInChI=1S/C7H17NO/c1-8-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyRURWAYHDLRPVAE-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.76
Rot. Bonds6

About 6-(methylamino)hexan-1-ol

6-(methylamino)hexan-1-ol (PubChem CID 10942457) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 6-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(methylamino)hexan-1-ol
PubChem CID10942457
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name6-(methylamino)hexan-1-ol
SMILESCNCCCCCCO
InChIInChI=1S/C7H17NO/c1-8-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyRURWAYHDLRPVAE-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)hexan-1-ol?
The IUPAC name of 6-(methylamino)hexan-1-ol (CID 10942457) is 6-(methylamino)hexan-1-ol.
What is the SMILES notation for 6-(methylamino)hexan-1-ol?
The canonical SMILES for 6-(methylamino)hexan-1-ol is CNCCCCCCO.
What is the InChIKey of 6-(methylamino)hexan-1-ol?
The InChIKey is RURWAYHDLRPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-8-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 6-(methylamino)hexan-1-ol?
6-(methylamino)hexan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)hexan-1-ol is sourced from PubChem (CID 10942457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).