N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine

C14H28N2O — CID 103991074

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCC2CCCN2C)CCO1
InChIInChI=1S/C14H28N2O/c1-3-5-14-10-12(7-9-17-14)15-11-13-6-4-8-16(13)2/h12-15H,3-11H2,1-2H3
InChIKeyOIBOXLUSQAHUSF-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine

N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine (PubChem CID 103991074) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine
PubChem CID103991074
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCC2CCCN2C)CCO1
InChIInChI=1S/C14H28N2O/c1-3-5-14-10-12(7-9-17-14)15-11-13-6-4-8-16(13)2/h12-15H,3-11H2,1-2H3
InChIKeyOIBOXLUSQAHUSF-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine (CID 103991074) is N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine is CCCC1CC(NCC2CCCN2C)CCO1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine?
The InChIKey is OIBOXLUSQAHUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-14-10-12(7-9-17-14)15-11-13-6-4-8-16(13)2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine?
N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine is sourced from PubChem (CID 103991074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).