N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine

C13H26N2O — CID 62437899

IUPACN-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(CN2CCCC2)O1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-12-5-6-13(16-12)10-15-7-3-4-8-15/h11-14H,3-10H2,1-2H3
InChIKeyDZBHPDIYWKOVGP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine

N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62437899) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
PubChem CID62437899
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(CN2CCCC2)O1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-12-5-6-13(16-12)10-15-7-3-4-8-15/h11-14H,3-10H2,1-2H3
InChIKeyDZBHPDIYWKOVGP-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine (CID 62437899) is N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(CN2CCCC2)O1.
What is the InChIKey of N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is DZBHPDIYWKOVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-9-12-5-6-13(16-12)10-15-7-3-4-8-15/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine?
N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62437899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).