1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

C14H28N2O — CID 55167088

IUPAC1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CNCC2CCCCO2)CCNC1
InChIInChI=1S/C14H28N2O/c1-2-6-14(7-8-15-11-14)12-16-10-13-5-3-4-9-17-13/h13,15-16H,2-12H2,1H3
InChIKeyPHJMJBQLXCJQFK-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.92
Rot. Bonds6

About 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 55167088) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
PubChem CID55167088
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CNCC2CCCCO2)CCNC1
InChIInChI=1S/C14H28N2O/c1-2-6-14(7-8-15-11-14)12-16-10-13-5-3-4-9-17-13/h13,15-16H,2-12H2,1H3
InChIKeyPHJMJBQLXCJQFK-UHFFFAOYSA-N
XLogP1.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (CID 55167088) is 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is CCCC1(CNCC2CCCCO2)CCNC1.
What is the InChIKey of 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is PHJMJBQLXCJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-6-14(7-8-15-11-14)12-16-10-13-5-3-4-9-17-13/h13,15-16H,2-12H2,1H3.
What are the key properties of 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 55167088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).