N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine

C15H28N2O2 — CID 102740842

IUPACN-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCN(CCOCC1CCC(CNC2CC2)O1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-17(13-4-5-13)8-9-18-11-15-7-6-14(19-15)10-16-12-2-3-12/h12-16H,2-11H2,1H3
InChIKeyXYJYNJHPQRZIQK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.40
Rot. Bonds9

About N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 102740842) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID102740842
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCN(CCOCC1CCC(CNC2CC2)O1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-17(13-4-5-13)8-9-18-11-15-7-6-14(19-15)10-16-12-2-3-12/h12-16H,2-11H2,1H3
InChIKeyXYJYNJHPQRZIQK-UHFFFAOYSA-N
XLogP1.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459470
N-methyl-N-[2-[[5-(propylaminomethyl)oxolan-2-yl]methoxy]ethyl]cyclopropanamine
CID 102741032
N-methyl-N-[2-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methoxy]ethyl]cyclopropanamine
CID 102740783
N-[[5-(ethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444292
N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62457537
N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 79679779
N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 106206023
N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444938
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459646
N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62471799
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 79123103
N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62427288

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine (CID 102740842) is N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine is CN(CCOCC1CCC(CNC2CC2)O1)C1CC1.
What is the InChIKey of N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is XYJYNJHPQRZIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(13-4-5-13)8-9-18-11-15-7-6-14(19-15)10-16-12-2-3-12/h12-16H,2-11H2,1H3.
What are the key properties of N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 268.40 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102740842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).