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

C8H18N2O — CID 118068301

IUPAC(1,4-dimethyl-1,4-diazepan-5-yl)methanol
SMILESCN1CCC(CO)N(C)CC1
InChIInChI=1S/C8H18N2O/c1-9-4-3-8(7-11)10(2)6-5-9/h8,11H,3-7H2,1-2H3
InChIKeyWMKRUBGEXLTMQV-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.39
Rot. Bonds1

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

(1,4-dimethyl-1,4-diazepan-5-yl)methanol (PubChem CID 118068301) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (1,4-dimethyl-1,4-diazepan-5-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethyl-1,4-diazepan-5-yl)methanol
PubChem CID118068301
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(1,4-dimethyl-1,4-diazepan-5-yl)methanol
SMILESCN1CCC(CO)N(C)CC1
InChIInChI=1S/C8H18N2O/c1-9-4-3-8(7-11)10(2)6-5-9/h8,11H,3-7H2,1-2H3
InChIKeyWMKRUBGEXLTMQV-UHFFFAOYSA-N
XLogP-0.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
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(4-methyl-1,4-diazepan-5-yl)methanol
CID 23090554
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
[(2R)-4-ethyl-1-methylpiperazin-2-yl]methanol
CID 147759267
[(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol
CID 59117705
(4-ethyl-1-methylpiperidin-2-yl)methanol
CID 170083810
[(2R,5S)-1,5-dimethylpiperidin-2-yl]methanol
CID 118033473
[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 6931395
[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 118303277

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-1,4-diazepan-5-yl)methanol?
The IUPAC name of (1,4-dimethyl-1,4-diazepan-5-yl)methanol (CID 118068301) is (1,4-dimethyl-1,4-diazepan-5-yl)methanol.
What is the SMILES notation for (1,4-dimethyl-1,4-diazepan-5-yl)methanol?
The canonical SMILES for (1,4-dimethyl-1,4-diazepan-5-yl)methanol is CN1CCC(CO)N(C)CC1.
What is the InChIKey of (1,4-dimethyl-1,4-diazepan-5-yl)methanol?
The InChIKey is WMKRUBGEXLTMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9-4-3-8(7-11)10(2)6-5-9/h8,11H,3-7H2,1-2H3.
What are the key properties of (1,4-dimethyl-1,4-diazepan-5-yl)methanol?
(1,4-dimethyl-1,4-diazepan-5-yl)methanol has a molecular weight of 158.25 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-1,4-diazepan-5-yl)methanol is sourced from PubChem (CID 118068301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).