N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine

C11H21NO2 — CID 103074660

IUPACN-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCOC
InChIInChI=1S/C11H21NO2/c1-10(8-12-11-4-5-11)9-14-7-3-6-13-2/h11-12H,1,3-9H2,2H3
InChIKeyOZLJTBWDCZAZFP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds9

About N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074660) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074660
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCOC
InChIInChI=1S/C11H21NO2/c1-10(8-12-11-4-5-11)9-14-7-3-6-13-2/h11-12H,1,3-9H2,2H3
InChIKeyOZLJTBWDCZAZFP-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074887
N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075040
N-[2-(3,3,3-trifluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075054
N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine
CID 118282096
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine
CID 79620990
N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074245
N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074316
N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074317
N-[2-(methoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074357
2-(methoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074358
N-tert-butyl-2-(methoxymethyl)prop-2-en-1-amine
CID 103074359

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074660) is N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCCCOC.
What is the InChIKey of N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is OZLJTBWDCZAZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(8-12-11-4-5-11)9-14-7-3-6-13-2/h11-12H,1,3-9H2,2H3.
What are the key properties of N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).