N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine

C17H35N3O — CID 63740701

IUPACN-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CC2CCN(C)C2)CCCOC1
InChIInChI=1S/C17H35N3O/c1-4-8-18-13-17(7-5-10-21-15-17)14-20(3)12-16-6-9-19(2)11-16/h16,18H,4-15H2,1-3H3
InChIKeyWNUOKQVSCUIXEQ-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.67
Rot. Bonds8

About N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine

N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine (PubChem CID 63740701) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
PubChem CID63740701
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CC2CCN(C)C2)CCCOC1
InChIInChI=1S/C17H35N3O/c1-4-8-18-13-17(7-5-10-21-15-17)14-20(3)12-16-6-9-19(2)11-16/h16,18H,4-15H2,1-3H3
InChIKeyWNUOKQVSCUIXEQ-UHFFFAOYSA-N
XLogP1.67
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
CID 63745746
N-[[3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63234760
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63742121
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741702

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine (CID 63740701) is N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine is CCCNCC1(CN(C)CC2CCN(C)C2)CCCOC1.
What is the InChIKey of N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine?
The InChIKey is WNUOKQVSCUIXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-8-18-13-17(7-5-10-21-15-17)14-20(3)12-16-6-9-19(2)11-16/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine?
N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63740701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).