5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol

C17H36N2O — CID 107204583

IUPAC5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
SMILESCCNC1C(CN(C)CCCCCO)CCCC1(C)C
InChIInChI=1S/C17H36N2O/c1-5-18-16-15(10-9-11-17(16,2)3)14-19(4)12-7-6-8-13-20/h15-16,18,20H,5-14H2,1-4H3
InChIKeyWRIKLUHUQRTEOA-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.89
Rot. Bonds9

About 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol

5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol (PubChem CID 107204583) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
PubChem CID107204583
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
SMILESCCNC1C(CN(C)CCCCCO)CCCC1(C)C
InChIInChI=1S/C17H36N2O/c1-5-18-16-15(10-9-11-17(16,2)3)14-19(4)12-7-6-8-13-20/h15-16,18,20H,5-14H2,1-4H3
InChIKeyWRIKLUHUQRTEOA-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol with MolForge

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Related Compounds

N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849429
5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol
CID 79853440
N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79842872
N-ethyl-6-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853175
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79853433
N'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117
N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853183
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842615
N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine
CID 79853528
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842445

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol (CID 107204583) is 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol is CCNC1C(CN(C)CCCCCO)CCCC1(C)C.
What is the InChIKey of 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol?
The InChIKey is WRIKLUHUQRTEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-18-16-15(10-9-11-17(16,2)3)14-19(4)12-7-6-8-13-20/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol?
5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107204583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).