N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine

C17H25NO — CID 114470752

IUPACN-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine
SMILESC=C(C)CCOCc1ccccc1CCNC1CC1
InChIInChI=1S/C17H25NO/c1-14(2)10-12-19-13-16-6-4-3-5-15(16)9-11-18-17-7-8-17/h3-6,17-18H,1,7-13H2,2H3
InChIKeyOPQJFXCIFNANNN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.46
Rot. Bonds9

About N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine

N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine (PubChem CID 114470752) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine
PubChem CID114470752
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine
SMILESC=C(C)CCOCc1ccccc1CCNC1CC1
InChIInChI=1S/C17H25NO/c1-14(2)10-12-19-13-16-6-4-3-5-15(16)9-11-18-17-7-8-17/h3-6,17-18H,1,7-13H2,2H3
InChIKeyOPQJFXCIFNANNN-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.46
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

2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine
CID 114470709
N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine
CID 106667907
methyl 2-[2-(3-methylbut-3-enoxymethyl)phenyl]acetate
CID 114469955
2-methyl-N-[[2-(3-methylbut-3-enoxymethyl)phenyl]methyl]propan-1-amine
CID 114470753
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 114470626
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[4-[(2-fluorophenyl)methoxy]butyl]cyclopropanamine
CID 63935145
N-[2-[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 106598452
N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
CID 82825189
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463621

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine (CID 114470752) is N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine is C=C(C)CCOCc1ccccc1CCNC1CC1.
What is the InChIKey of N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine?
The InChIKey is OPQJFXCIFNANNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)10-12-19-13-16-6-4-3-5-15(16)9-11-18-17-7-8-17/h3-6,17-18H,1,7-13H2,2H3.
What are the key properties of N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine?
N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 114470752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).