N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine

C12H16N2O — CID 105074850

IUPACN-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
SMILESC=CCOc1cnccc1CNC1CC1
InChIInChI=1S/C12H16N2O/c1-2-7-15-12-9-13-6-5-10(12)8-14-11-3-4-11/h2,5-6,9,11,14H,1,3-4,7-8H2
InChIKeyNUJJRAPUUDTTDO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.90
Rot. Bonds6

About N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine

N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine (PubChem CID 105074850) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
PubChem CID105074850
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
SMILESC=CCOc1cnccc1CNC1CC1
InChIInChI=1S/C12H16N2O/c1-2-7-15-12-9-13-6-5-10(12)8-14-11-3-4-11/h2,5-6,9,11,14H,1,3-4,7-8H2
InChIKeyNUJJRAPUUDTTDO-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
N-[[3-[2-(dimethylamino)-2-methylpropoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 105075823
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 81250020
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075129
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075967

Frequently Asked Questions

What is the IUPAC name of N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine (CID 105074850) is N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine is C=CCOc1cnccc1CNC1CC1.
What is the InChIKey of N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine?
The InChIKey is NUJJRAPUUDTTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-7-15-12-9-13-6-5-10(12)8-14-11-3-4-11/h2,5-6,9,11,14H,1,3-4,7-8H2.
What are the key properties of N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine?
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine has a molecular weight of 204.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 105074850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).