(4-methyl-1,4-diazepan-5-yl)methanol

C7H16N2O — CID 23090554

IUPAC(4-methyl-1,4-diazepan-5-yl)methanol
SMILESCN1CCNCCC1CO
InChIInChI=1S/C7H16N2O/c1-9-5-4-8-3-2-7(9)6-10/h7-8,10H,2-6H2,1H3
InChIKeyJSIFUDYSEQZQMI-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.73
Rot. Bonds1

About (4-methyl-1,4-diazepan-5-yl)methanol

(4-methyl-1,4-diazepan-5-yl)methanol (PubChem CID 23090554) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-5-yl)methanol
PubChem CID23090554
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(4-methyl-1,4-diazepan-5-yl)methanol
SMILESCN1CCNCCC1CO
InChIInChI=1S/C7H16N2O/c1-9-5-4-8-3-2-7(9)6-10/h7-8,10H,2-6H2,1H3
InChIKeyJSIFUDYSEQZQMI-UHFFFAOYSA-N
XLogP-0.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine
CID 23090509
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
(1,4-dimethyl-1,4-diazepan-5-yl)methanol
CID 118068301
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
1-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazine
CID 51614709
1-methyl-2-prop-2-enylpiperazine
CID 22918318
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
ethane;(1-methylpiperazin-2-yl)methanethiol
CID 171068891

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-5-yl)methanol?
The IUPAC name of (4-methyl-1,4-diazepan-5-yl)methanol (CID 23090554) is (4-methyl-1,4-diazepan-5-yl)methanol.
What is the SMILES notation for (4-methyl-1,4-diazepan-5-yl)methanol?
The canonical SMILES for (4-methyl-1,4-diazepan-5-yl)methanol is CN1CCNCCC1CO.
What is the InChIKey of (4-methyl-1,4-diazepan-5-yl)methanol?
The InChIKey is JSIFUDYSEQZQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-5-4-8-3-2-7(9)6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-5-yl)methanol?
(4-methyl-1,4-diazepan-5-yl)methanol has a molecular weight of 144.22 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-5-yl)methanol is sourced from PubChem (CID 23090554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).