N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

C14H28N2O2 — CID 63007559

IUPACN-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCOCCCN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C14H28N2O2/c1-16(7-3-8-17-2)11-14(6-9-18-12-14)10-15-13-4-5-13/h13,15H,3-12H2,1-2H3
InChIKeyYKQUSIHAISFXBG-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.11
Rot. Bonds9

About N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 63007559) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID63007559
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCOCCCN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C14H28N2O2/c1-16(7-3-8-17-2)11-14(6-9-18-12-14)10-15-13-4-5-13/h13,15H,3-12H2,1-2H3
InChIKeyYKQUSIHAISFXBG-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 63007559) is N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is COCCCN(C)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is YKQUSIHAISFXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-16(7-3-8-17-2)11-14(6-9-18-12-14)10-15-13-4-5-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 256.39 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63007559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).