6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol

C12H26N2O — CID 107704779

IUPAC6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
SMILESCN1CCCN(CCCCCCO)CC1
InChIInChI=1S/C12H26N2O/c1-13-7-6-9-14(11-10-13)8-4-2-3-5-12-15/h15H,2-12H2,1H3
InChIKeySLRJDFMPOMAYCW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.18
Rot. Bonds6

About 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol

6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol (PubChem CID 107704779) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
PubChem CID107704779
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
SMILESCN1CCCN(CCCCCCO)CC1
InChIInChI=1S/C12H26N2O/c1-13-7-6-9-14(11-10-13)8-4-2-3-5-12-15/h15H,2-12H2,1H3
InChIKeySLRJDFMPOMAYCW-UHFFFAOYSA-N
XLogP1.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol?
The IUPAC name of 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol (CID 107704779) is 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol?
The canonical SMILES for 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol is CN1CCCN(CCCCCCO)CC1.
What is the InChIKey of 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol?
The InChIKey is SLRJDFMPOMAYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-13-7-6-9-14(11-10-13)8-4-2-3-5-12-15/h15H,2-12H2,1H3.
What are the key properties of 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol?
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol is sourced from PubChem (CID 107704779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).