N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H32N2O — CID 55051345

IUPACN-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C1CC1)N(C)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H32N2O/c1-13(14-6-7-14)18(5)11-16(8-9-19-12-16)10-17-15(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyCFBQHZSGRCXTHE-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55051345) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID55051345
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C1CC1)N(C)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H32N2O/c1-13(14-6-7-14)18(5)11-16(8-9-19-12-16)10-17-15(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyCFBQHZSGRCXTHE-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 N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 55051345) is N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C1CC1)N(C)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CFBQHZSGRCXTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(14-6-7-14)18(5)11-16(8-9-19-12-16)10-17-15(2,3)4/h13-14,17H,6-12H2,1-5H3.
What are the key properties of N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-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 N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55051345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).