N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine

C17H25NO — CID 79338561

IUPACN-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
SMILESCOCc1ccc(C=C(CNC2CC2)C(C)C)cc1
InChIInChI=1S/C17H25NO/c1-13(2)16(11-18-17-8-9-17)10-14-4-6-15(7-5-14)12-19-3/h4-7,10,13,17-18H,8-9,11-12H2,1-3H3
InChIKeyACUMCIBERPULRW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine

N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine (PubChem CID 79338561) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
PubChem CID79338561
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
SMILESCOCc1ccc(C=C(CNC2CC2)C(C)C)cc1
InChIInChI=1S/C17H25NO/c1-13(2)16(11-18-17-8-9-17)10-14-4-6-15(7-5-14)12-19-3/h4-7,10,13,17-18H,8-9,11-12H2,1-3H3
InChIKeyACUMCIBERPULRW-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine (CID 79338561) is N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine is COCc1ccc(C=C(CNC2CC2)C(C)C)cc1.
What is the InChIKey of N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine?
The InChIKey is ACUMCIBERPULRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)16(11-18-17-8-9-17)10-14-4-6-15(7-5-14)12-19-3/h4-7,10,13,17-18H,8-9,11-12H2,1-3H3.
What are the key properties of N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine?
N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79338561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).