N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine

C17H32N2O2 — CID 63742120

IUPACN-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCN(CC1CCOCC1)CC1(CNC2CC2)CCCOC1
InChIInChI=1S/C17H32N2O2/c1-19(11-15-5-9-20-10-6-15)13-17(7-2-8-21-14-17)12-18-16-3-4-16/h15-16,18H,2-14H2,1H3
InChIKeyYZJXGBLGMVWLJS-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.89
Rot. Bonds7

About N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine

N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (PubChem CID 63742120) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
PubChem CID63742120
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCN(CC1CCOCC1)CC1(CNC2CC2)CCCOC1
InChIInChI=1S/C17H32N2O2/c1-19(11-15-5-9-20-10-6-15)13-17(7-2-8-21-14-17)12-18-16-3-4-16/h15-16,18H,2-14H2,1H3
InChIKeyYZJXGBLGMVWLJS-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63742121
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391146
N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741534
N-[[1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 63633194
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612
N-[[3-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65006542
1-[[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953501
N-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]-N,4-dimethylaniline
CID 63739621
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (CID 63742120) is N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is CN(CC1CCOCC1)CC1(CNC2CC2)CCCOC1.
What is the InChIKey of N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is YZJXGBLGMVWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-19(11-15-5-9-20-10-6-15)13-17(7-2-8-21-14-17)12-18-16-3-4-16/h15-16,18H,2-14H2,1H3.
What are the key properties of N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 296.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63742120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).