4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

C16H32N2O — CID 79929292

IUPAC4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCN(CC1CC1)CC1C(NC)C(C)(C)OC1(C)C
InChIInChI=1S/C16H32N2O/c1-7-18(10-12-8-9-12)11-13-14(17-6)16(4,5)19-15(13,2)3/h12-14,17H,7-11H2,1-6H3
InChIKeyXGNDSRCAYLESOI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79929292) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79929292
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCN(CC1CC1)CC1C(NC)C(C)(C)OC1(C)C
InChIInChI=1S/C16H32N2O/c1-7-18(10-12-8-9-12)11-13-14(17-6)16(4,5)19-15(13,2)3/h12-14,17H,7-11H2,1-6H3
InChIKeyXGNDSRCAYLESOI-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79929292) is 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is CCN(CC1CC1)CC1C(NC)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is XGNDSRCAYLESOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-18(10-12-8-9-12)11-13-14(17-6)16(4,5)19-15(13,2)3/h12-14,17H,7-11H2,1-6H3.
What are the key properties of 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79929292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).