N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

C16H32N2O — CID 55056497

IUPACN-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC(C)CC(C)N(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C16H32N2O/c1-13(2)9-14(3)18(4)11-16(7-8-19-12-16)10-17-15-5-6-15/h13-15,17H,5-12H2,1-4H3
InChIKeyWICUJOFIXYGXIK-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds8

About N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55056497) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55056497
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC(C)CC(C)N(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C16H32N2O/c1-13(2)9-14(3)18(4)11-16(7-8-19-12-16)10-17-15-5-6-15/h13-15,17H,5-12H2,1-4H3
InChIKeyWICUJOFIXYGXIK-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55056497) is N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CC(C)CC(C)N(C)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is WICUJOFIXYGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)9-14(3)18(4)11-16(7-8-19-12-16)10-17-15-5-6-15/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55056497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).