N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine

C15H28N2O — CID 62418603

IUPACN-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESC=C(C)CN(CC)CC1CCC(CNC2CC2)O1
InChIInChI=1S/C15H28N2O/c1-4-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13-5-6-13/h13-16H,2,4-11H2,1,3H3
InChIKeyGAFDZHLUAHJQBF-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.18
Rot. Bonds8

About N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62418603) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62418603
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESC=C(C)CN(CC)CC1CCC(CNC2CC2)O1
InChIInChI=1S/C15H28N2O/c1-4-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13-5-6-13/h13-16H,2,4-11H2,1,3H3
InChIKeyGAFDZHLUAHJQBF-UHFFFAOYSA-N
XLogP2.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62418603) is N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine is C=C(C)CN(CC)CC1CCC(CNC2CC2)O1.
What is the InChIKey of N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is GAFDZHLUAHJQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13-5-6-13/h13-16H,2,4-11H2,1,3H3.
What are the key properties of N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 252.40 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62418603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).