N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine

C17H33NO2 — CID 62460585

IUPACN-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC(COC2CCCCCC2)O1
InChIInChI=1S/C17H33NO2/c1-17(2,3)18-12-15-10-11-16(20-15)13-19-14-8-6-4-5-7-9-14/h14-16,18H,4-13H2,1-3H3
InChIKeyIGXZOTGEAWNDPL-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.66
Rot. Bonds5

About N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62460585) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62460585
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC(COC2CCCCCC2)O1
InChIInChI=1S/C17H33NO2/c1-17(2,3)18-12-15-10-11-16(20-15)13-19-14-8-6-4-5-7-9-14/h14-16,18H,4-13H2,1-3H3
InChIKeyIGXZOTGEAWNDPL-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 66324414
N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 55077944
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459646
N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 159032634
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylcyclopentanamine
CID 62418705
2-methyl-N-[[5-(oxolan-3-ylmethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62484891
N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62454144
N-tert-butyl-4-cyclopentyloxybutan-1-amine
CID 62443463
6-(cycloundecyloxymethyl)oxan-2-ol
CID 135181665
N-[[5-(oxan-4-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62440528
N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 63216594
1-[5-[(3,4-dimethylcyclohexyl)oxymethyl]oxolan-2-yl]-N-methylmethanamine
CID 64739337

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine (CID 62460585) is N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC(COC2CCCCCC2)O1.
What is the InChIKey of N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IGXZOTGEAWNDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-17(2,3)18-12-15-10-11-16(20-15)13-19-14-8-6-4-5-7-9-14/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62460585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).