N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine

C13H26N2O — CID 62261421

IUPACN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCNCC1(CN(CC)C2CC2)CCOC1
InChIInChI=1S/C13H26N2O/c1-3-14-9-13(7-8-16-11-13)10-15(4-2)12-5-6-12/h12,14H,3-11H2,1-2H3
InChIKeyRBANHRBNGLBRPY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds7

About N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine

N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62261421) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62261421
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCNCC1(CN(CC)C2CC2)CCOC1
InChIInChI=1S/C13H26N2O/c1-3-14-9-13(7-8-16-11-13)10-15(4-2)12-5-6-12/h12,14H,3-11H2,1-2H3
InChIKeyRBANHRBNGLBRPY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 62261421) is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine is CCNCC1(CN(CC)C2CC2)CCOC1.
What is the InChIKey of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is RBANHRBNGLBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-14-9-13(7-8-16-11-13)10-15(4-2)12-5-6-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62261421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).