5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol

C15H32N2O — CID 107204564

IUPAC5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol
SMILESCNCC1(CN(C)CCCCCO)CCCCC1
InChIInChI=1S/C15H32N2O/c1-16-13-15(9-5-3-6-10-15)14-17(2)11-7-4-8-12-18/h16,18H,3-14H2,1-2H3
InChIKeyWRRONNNBVHXNGA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds9

About 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol

5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol (PubChem CID 107204564) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol
PubChem CID107204564
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol
SMILESCNCC1(CN(C)CCCCCO)CCCCC1
InChIInChI=1S/C15H32N2O/c1-16-13-15(9-5-3-6-10-15)14-17(2)11-7-4-8-12-18/h16,18H,3-14H2,1-2H3
InChIKeyWRRONNNBVHXNGA-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Amino-3-[1-(methylaminomethyl)cyclohexyl]propan-1-ol
CID 70050168
1-Amino-5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-methylpentan-1-ol
CID 160980404
1-[3-(Dimethylamino)propylamino]-2-(2,2-dimethylpropyl)-3,3-dimethylpentan-1-ol
CID 169613055
[1-[[1-(Aminomethyl)cyclohexyl]methyl]piperidin-3-yl]methanol
CID 55051650
[1-[2-Ethyl-2-(ethylaminomethyl)butyl]piperidin-3-yl]methanol
CID 55051652
[1-[[1-(Methylaminomethyl)cyclohexyl]methyl]piperidin-3-yl]methanol
CID 55051699
2-[[1-(Ethylaminomethyl)cyclohexyl]methyl-propylamino]ethanol
CID 55056144
3-[[1-(Ethylaminomethyl)cyclohexyl]methyl-propan-2-ylamino]propan-1-ol
CID 55056361
2-[Butyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62256601
2-[Ethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62257579
2-[Ethyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62257581
2-[Methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62257757

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol (CID 107204564) is 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol is CNCC1(CN(C)CCCCCO)CCCCC1.
What is the InChIKey of 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol?
The InChIKey is WRRONNNBVHXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-16-13-15(9-5-3-6-10-15)14-17(2)11-7-4-8-12-18/h16,18H,3-14H2,1-2H3.
What are the key properties of 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol?
5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol is sourced from PubChem (CID 107204564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).