N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

C15H28N2O — CID 62390400

IUPACN-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1CCCN1CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C15H28N2O/c1-13-3-2-8-17(13)12-15(6-9-18-10-7-15)11-16-14-4-5-14/h13-14,16H,2-12H2,1H3
InChIKeyBUFUFIPZELCGGK-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds5

About N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62390400) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62390400
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1CCCN1CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C15H28N2O/c1-13-3-2-8-17(13)12-15(6-9-18-10-7-15)11-16-14-4-5-14/h13-14,16H,2-12H2,1H3
InChIKeyBUFUFIPZELCGGK-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
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-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62390400) is N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is CC1CCCN1CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is BUFUFIPZELCGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13-3-2-8-17(13)12-15(6-9-18-10-7-15)11-16-14-4-5-14/h13-14,16H,2-12H2,1H3.
What are the key properties of N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 252.40 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-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62390400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).