[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol

C14H29NO2 — CID 62543978

IUPAC[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCOCCNC1(CO)CC(C)CCC1C(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)13-6-5-12(3)9-14(13,10-16)15-7-8-17-4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyKHVOEFFULKIEEP-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.05
Rot. Bonds6

About [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol

[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol (PubChem CID 62543978) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
PubChem CID62543978
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCOCCNC1(CO)CC(C)CCC1C(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)13-6-5-12(3)9-14(13,10-16)15-7-8-17-4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyKHVOEFFULKIEEP-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol (CID 62543978) is [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol is COCCNC1(CO)CC(C)CCC1C(C)C.
What is the InChIKey of [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The InChIKey is KHVOEFFULKIEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)13-6-5-12(3)9-14(13,10-16)15-7-8-17-4/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 62543978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).