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

C15H30N2O — CID 55051876

IUPACN-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC(C)C(C)N(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-12(2)13(3)17(4)10-15(7-8-18-11-15)9-16-14-5-6-14/h12-14,16H,5-11H2,1-4H3
InChIKeyCBBXXRAGXDENGZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds7

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

N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55051876) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55051876
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC(C)C(C)N(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-12(2)13(3)17(4)10-15(7-8-18-11-15)9-16-14-5-6-14/h12-14,16H,5-11H2,1-4H3
InChIKeyCBBXXRAGXDENGZ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55051876) is N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CC(C)C(C)N(C)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is CBBXXRAGXDENGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)13(3)17(4)10-15(7-8-18-11-15)9-16-14-5-6-14/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55051876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).