2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine

C17H33NO2 — CID 62110273

IUPAC2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)(C)C)(OCC2CCCO2)C1
InChIInChI=1S/C17H33NO2/c1-14-7-5-9-17(11-14,13-18-16(2,3)4)20-12-15-8-6-10-19-15/h14-15,18H,5-13H2,1-4H3
InChIKeyQJCAUVSDHNRBFO-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 62110273) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID62110273
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)(C)C)(OCC2CCCO2)C1
InChIInChI=1S/C17H33NO2/c1-14-7-5-9-17(11-14,13-18-16(2,3)4)20-12-15-8-6-10-19-15/h14-15,18H,5-13H2,1-4H3
InChIKeyQJCAUVSDHNRBFO-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62107941
2-[[1-(iodomethyl)-3-methylcyclohexyl]oxymethyl]oxane
CID 114772658
[3-methyl-1-(oxolan-2-ylmethoxy)cyclopentyl]methanamine
CID 65051674
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N,N,3-trimethyl-1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61212304
2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036625
N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107940
2-[[4-tert-butyl-1-(iodomethyl)cyclohexyl]oxymethyl]oxolane
CID 114773000
N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62106678
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
CID 63474493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine (CID 62110273) is 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine is CC1CCCC(CNC(C)(C)C)(OCC2CCCO2)C1.
What is the InChIKey of 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is QJCAUVSDHNRBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14-7-5-9-17(11-14,13-18-16(2,3)4)20-12-15-8-6-10-19-15/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62110273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).