2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine

C15H30N2O — CID 55081735

IUPAC2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(CC2CCCOC2)C1
InChIInChI=1S/C15H30N2O/c1-13(2)8-16-9-14-5-6-17(10-14)11-15-4-3-7-18-12-15/h13-16H,3-12H2,1-2H3
InChIKeyNSUXZWGWZVQSKA-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.98
Rot. Bonds6

About 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 55081735) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID55081735
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(CC2CCCOC2)C1
InChIInChI=1S/C15H30N2O/c1-13(2)8-16-9-14-5-6-17(10-14)11-15-4-3-7-18-12-15/h13-16H,3-12H2,1-2H3
InChIKeyNSUXZWGWZVQSKA-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 55081735) is 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(CC2CCCOC2)C1.
What is the InChIKey of 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is NSUXZWGWZVQSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)8-16-9-14-5-6-17(10-14)11-15-4-3-7-18-12-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55081735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).