2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol

C16H31NO3 — CID 111488883

IUPAC2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol
SMILESCC1CCC(N(CCOCCO)CC2CCCO2)CC1
InChIInChI=1S/C16H31NO3/c1-14-4-6-15(7-5-14)17(8-11-19-12-9-18)13-16-3-2-10-20-16/h14-16,18H,2-13H2,1H3
InChIKeyMNLYPYUQEYQUNL-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.06
Rot. Bonds8

About 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol

2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol (PubChem CID 111488883) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol
PubChem CID111488883
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol
SMILESCC1CCC(N(CCOCCO)CC2CCCO2)CC1
InChIInChI=1S/C16H31NO3/c1-14-4-6-15(7-5-14)17(8-11-19-12-9-18)13-16-3-2-10-20-16/h14-16,18H,2-13H2,1H3
InChIKeyMNLYPYUQEYQUNL-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 111488864
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
2-ethoxyethanol;oxolan-2-ylmethanol
CID 70426292
methyl 3-[(3,5-dimethylcyclohexyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 115536615
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126771558
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
CID 63389279
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 119336162
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126785570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol (CID 111488883) is 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol is CC1CCC(N(CCOCCO)CC2CCCO2)CC1.
What is the InChIKey of 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol?
The InChIKey is MNLYPYUQEYQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-14-4-6-15(7-5-14)17(8-11-19-12-9-18)13-16-3-2-10-20-16/h14-16,18H,2-13H2,1H3.
What are the key properties of 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol?
2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol has a molecular weight of 285.43 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol is sourced from PubChem (CID 111488883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).