N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine

C17H33NO2 — CID 62486552

IUPACN-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(COCC2CCCCC2)O1
InChIInChI=1S/C17H33NO2/c1-14(2)10-18-11-16-8-9-17(20-16)13-19-12-15-6-4-3-5-7-15/h14-18H,3-13H2,1-2H3
InChIKeyUYADDMQOCGYWST-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds8

About N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62486552) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62486552
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(COCC2CCCCC2)O1
InChIInChI=1S/C17H33NO2/c1-14(2)10-18-11-16-8-9-17(20-16)13-19-12-15-6-4-3-5-7-15/h14-18H,3-13H2,1-2H3
InChIKeyUYADDMQOCGYWST-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine (CID 62486552) is N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(COCC2CCCCC2)O1.
What is the InChIKey of N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UYADDMQOCGYWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14(2)10-18-11-16-8-9-17(20-16)13-19-12-15-6-4-3-5-7-15/h14-18H,3-13H2,1-2H3.
What are the key properties of N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62486552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).