N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine

C15H30N2O — CID 62392859

IUPACN-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC(C)CN(C)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C15H30N2O/c1-13(2)10-17(3)12-15(6-8-18-9-7-15)11-16-14-4-5-14/h13-14,16H,4-12H2,1-3H3
InChIKeyOGHVZXMGTPMNBH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds7

About N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62392859) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62392859
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC(C)CN(C)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C15H30N2O/c1-13(2)10-17(3)12-15(6-8-18-9-7-15)11-16-14-4-5-14/h13-14,16H,4-12H2,1-3H3
InChIKeyOGHVZXMGTPMNBH-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-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62392859) is N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is CC(C)CN(C)CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is OGHVZXMGTPMNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)10-17(3)12-15(6-8-18-9-7-15)11-16-14-4-5-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-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-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62392859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).