N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine

C11H19NO — CID 103074245

IUPACN-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=CCCOCC(=C)CNC1CC1
InChIInChI=1S/C11H19NO/c1-3-4-7-13-9-10(2)8-12-11-5-6-11/h3,11-12H,1-2,4-9H2
InChIKeyMZGPRFZONRKDHB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds8

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

N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074245) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074245
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=CCCOCC(=C)CNC1CC1
InChIInChI=1S/C11H19NO/c1-3-4-7-13-9-10(2)8-12-11-5-6-11/h3,11-12H,1-2,4-9H2
InChIKeyMZGPRFZONRKDHB-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615
N-(3-prop-2-enoxypropyl)cyclopropanamine
CID 62442635
N-(3-but-3-enoxypropyl)cyclopropanamine
CID 62442853
N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine
CID 79620990
N-(3-but-3-enoxy-2,2-dimethylpropyl)cyclopropanamine
CID 79621617
2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074244
2-(but-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074246
2-(but-3-enoxymethyl)-N-tert-butylprop-2-en-1-amine
CID 103074247
2-(but-3-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103074248
2-(but-3-enoxymethyl)-N-methylprop-2-en-1-amine
CID 103074250
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074245) is N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine is C=CCCOCC(=C)CNC1CC1.
What is the InChIKey of N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is MZGPRFZONRKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-7-13-9-10(2)8-12-11-5-6-11/h3,11-12H,1-2,4-9H2.
What are the key properties of N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).