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

C14H28N2O — CID 62261422

IUPACN-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCNCC1(CN(CC)C2CC2)CCOC1
InChIInChI=1S/C14H28N2O/c1-3-8-15-10-14(7-9-17-12-14)11-16(4-2)13-5-6-13/h13,15H,3-12H2,1-2H3
InChIKeyMVKAZBVNVQBWIL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds8

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

N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62261422) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62261422
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCNCC1(CN(CC)C2CC2)CCOC1
InChIInChI=1S/C14H28N2O/c1-3-8-15-10-14(7-9-17-12-14)11-16(4-2)13-5-6-13/h13,15H,3-12H2,1-2H3
InChIKeyMVKAZBVNVQBWIL-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 62261422) is N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine is CCCNCC1(CN(CC)C2CC2)CCOC1.
What is the InChIKey of N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is MVKAZBVNVQBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-8-15-10-14(7-9-17-12-14)11-16(4-2)13-5-6-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62261422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).