1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol

C15H31NO3 — CID 81094795

IUPAC1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCOC(CNCC1(O)CCC(CC)CC1)OCC
InChIInChI=1S/C15H31NO3/c1-4-13-7-9-15(17,10-8-13)12-16-11-14(18-5-2)19-6-3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyNYERZDLARKFKIS-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.31
Rot. Bonds9

About 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol

1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 81094795) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID81094795
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCOC(CNCC1(O)CCC(CC)CC1)OCC
InChIInChI=1S/C15H31NO3/c1-4-13-7-9-15(17,10-8-13)12-16-11-14(18-5-2)19-6-3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyNYERZDLARKFKIS-UHFFFAOYSA-N
XLogP2.31
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 65115854
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
2-amino-3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]propanoic acid
CID 103253424
1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 63490303
[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol
CID 115454682
1-[(2-methylpropylamino)methyl]-4-propylcyclohexan-1-ol
CID 62774717
4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
CID 65118737
ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate
CID 103253445
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103179102
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoic acid
CID 103253435

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol (CID 81094795) is 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol is CCOC(CNCC1(O)CCC(CC)CC1)OCC.
What is the InChIKey of 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is NYERZDLARKFKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-4-13-7-9-15(17,10-8-13)12-16-11-14(18-5-2)19-6-3/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol?
1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 81094795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).