N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine

C17H23NO — CID 79330119

IUPACN-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
SMILESC=CCOc1ccccc1C=C(CC)CNC1CC1
InChIInChI=1S/C17H23NO/c1-3-11-19-17-8-6-5-7-15(17)12-14(4-2)13-18-16-9-10-16/h3,5-8,12,16,18H,1,4,9-11,13H2,2H3
InChIKeyXCNHOGBVQSQXHL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.80
Rot. Bonds8

About N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine

N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine (PubChem CID 79330119) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
PubChem CID79330119
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
SMILESC=CCOc1ccccc1C=C(CC)CNC1CC1
InChIInChI=1S/C17H23NO/c1-3-11-19-17-8-6-5-7-15(17)12-14(4-2)13-18-16-9-10-16/h3,5-8,12,16,18H,1,4,9-11,13H2,2H3
InChIKeyXCNHOGBVQSQXHL-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79330139
N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
CID 79329058
N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine
CID 79330116
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine
CID 79340533
N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
CID 114077256
1-[2-(bromomethyl)but-1-enyl]-2-ethoxybenzene
CID 79324457
N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
CID 79978516
1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
CID 79323305

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine (CID 79330119) is N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine is C=CCOc1ccccc1C=C(CC)CNC1CC1.
What is the InChIKey of N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is XCNHOGBVQSQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-11-19-17-8-6-5-7-15(17)12-14(4-2)13-18-16-9-10-16/h3,5-8,12,16,18H,1,4,9-11,13H2,2H3.
What are the key properties of N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine?
N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 257.38 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79330119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).