N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

C15H30N2O — CID 63705880

IUPACN-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)CC2CCOCC2)CCNC1
InChIInChI=1S/C15H30N2O/c1-3-6-15(7-8-16-12-15)13-17(2)11-14-4-9-18-10-5-14/h14,16H,3-13H2,1-2H3
InChIKeyGRXVVTIGABYPRB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds6

About N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 63705880) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
PubChem CID63705880
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)CC2CCOCC2)CCNC1
InChIInChI=1S/C15H30N2O/c1-3-6-15(7-8-16-12-15)13-17(2)11-14-4-9-18-10-5-14/h14,16H,3-13H2,1-2H3
InChIKeyGRXVVTIGABYPRB-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (CID 63705880) is N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is CCCC1(CN(C)CC2CCOCC2)CCNC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is GRXVVTIGABYPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-6-15(7-8-16-12-15)13-17(2)11-14-4-9-18-10-5-14/h14,16H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 63705880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).