2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol

C11H24N2O — CID 130979491

IUPAC2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol
SMILESCCC(C)(O)CN1CCNCC(C)C1
InChIInChI=1S/C11H24N2O/c1-4-11(3,14)9-13-6-5-12-7-10(2)8-13/h10,12,14H,4-9H2,1-3H3
InChIKeyISMNMUPPZLAENR-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds3

About 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol

2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol (PubChem CID 130979491) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol
PubChem CID130979491
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol
SMILESCCC(C)(O)CN1CCNCC(C)C1
InChIInChI=1S/C11H24N2O/c1-4-11(3,14)9-13-6-5-12-7-10(2)8-13/h10,12,14H,4-9H2,1-3H3
InChIKeyISMNMUPPZLAENR-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-prop-2-ynyl-1,4-diazepane
CID 130948165
1-(2,3-dimethylbutyl)-6-methyl-1,4-diazepane
CID 64599289
6-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115521968
(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 114496411
1-ethylsulfinyl-6-methyl-1,4-diazepane
CID 130948915
2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione
CID 153358615
6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
CID 107420452
1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
CID 114496935
2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
CID 114495323
1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine
CID 80551089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol (CID 130979491) is 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol is CCC(C)(O)CN1CCNCC(C)C1.
What is the InChIKey of 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol?
The InChIKey is ISMNMUPPZLAENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-11(3,14)9-13-6-5-12-7-10(2)8-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol?
2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol is sourced from PubChem (CID 130979491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).