[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol

C14H28N2O — CID 62270732

IUPAC[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
SMILESCN1CCCN(CC2(CO)CCCCC2)CC1
InChIInChI=1S/C14H28N2O/c1-15-8-5-9-16(11-10-15)12-14(13-17)6-3-2-4-7-14/h17H,2-13H2,1H3
InChIKeyYBHUVSZBGPSUFN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.57
Rot. Bonds3

About [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol

[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol (PubChem CID 62270732) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
PubChem CID62270732
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
SMILESCN1CCCN(CC2(CO)CCCCC2)CC1
InChIInChI=1S/C14H28N2O/c1-15-8-5-9-16(11-10-15)12-14(13-17)6-3-2-4-7-14/h17H,2-13H2,1H3
InChIKeyYBHUVSZBGPSUFN-UHFFFAOYSA-N
XLogP1.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 82111602
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226563
[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 62264791
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-4-methylpiperidin-4-ol
CID 81115505
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 63005066
[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol
CID 62266890
1-[(1-fluorocyclopropyl)methyl]-4-methyl-1,4-diazepane
CID 131201174
[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol
CID 104550772
[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
CID 82509991
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol (CID 62270732) is [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol is CN1CCCN(CC2(CO)CCCCC2)CC1.
What is the InChIKey of [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol?
The InChIKey is YBHUVSZBGPSUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-8-5-9-16(11-10-15)12-14(13-17)6-3-2-4-7-14/h17H,2-13H2,1H3.
What are the key properties of [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol?
[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 62270732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).