2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol

C15H31NO3 — CID 62704316

IUPAC2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCOCCN(CCOC)C1CC(C(C)C)CCC1O
InChIInChI=1S/C15H31NO3/c1-12(2)13-5-6-15(17)14(11-13)16(7-9-18-3)8-10-19-4/h12-15,17H,5-11H2,1-4H3
InChIKeyZSAGVGDYXVRNOW-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.77
Rot. Bonds8

About 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol

2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62704316) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62704316
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCOCCN(CCOC)C1CC(C(C)C)CCC1O
InChIInChI=1S/C15H31NO3/c1-12(2)13-5-6-15(17)14(11-13)16(7-9-18-3)8-10-19-4/h12-15,17H,5-11H2,1-4H3
InChIKeyZSAGVGDYXVRNOW-UHFFFAOYSA-N
XLogP1.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 62704316) is 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol is COCCN(CCOC)C1CC(C(C)C)CCC1O.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is ZSAGVGDYXVRNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-12(2)13-5-6-15(17)14(11-13)16(7-9-18-3)8-10-19-4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62704316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).