N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine

C18H37NO2 — CID 57094046

IUPACN-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C18H37NO2/c1-14(2)13-20-10-8-19-9-11-21-18-12-16(5)6-7-17(18)15(3)4/h14-19H,6-13H2,1-5H3/t16-,17+,18-/m1/s1
InChIKeyMUYCAQPYORDIRC-FGTMMUONSA-N
MW299.50 g/mol
LogP3.73
Rot. Bonds10

About N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine

N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 57094046) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine
PubChem CID57094046
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C18H37NO2/c1-14(2)13-20-10-8-19-9-11-21-18-12-16(5)6-7-17(18)15(3)4/h14-19H,6-13H2,1-5H3/t16-,17+,18-/m1/s1
InChIKeyMUYCAQPYORDIRC-FGTMMUONSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
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 N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine (CID 57094046) is N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine is CC(C)COCCNCCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is MUYCAQPYORDIRC-FGTMMUONSA-N. The full InChI is InChI=1S/C18H37NO2/c1-14(2)13-20-10-8-19-9-11-21-18-12-16(5)6-7-17(18)15(3)4/h14-19H,6-13H2,1-5H3/t16-,17+,18-/m1/s1.
What are the key properties of N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine?
N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 299.50 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 57094046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).