N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine

C14H21NO2 — CID 114470626

IUPACN-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESC=C(C)CCOCc1cc(CNC2CC2)co1
InChIInChI=1S/C14H21NO2/c1-11(2)5-6-16-10-14-7-12(9-17-14)8-15-13-3-4-13/h7,9,13,15H,1,3-6,8,10H2,2H3
InChIKeyKXCHRHFGRYYFCE-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds8

About N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine

N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 114470626) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID114470626
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESC=C(C)CCOCc1cc(CNC2CC2)co1
InChIInChI=1S/C14H21NO2/c1-11(2)5-6-16-10-14-7-12(9-17-14)8-15-13-3-4-13/h7,9,13,15H,1,3-6,8,10H2,2H3
InChIKeyKXCHRHFGRYYFCE-UHFFFAOYSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]ethanamine
CID 114470778
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 65125603
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 76943781
N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine
CID 114470752
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62458109
N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62445685

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 114470626) is N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine is C=C(C)CCOCc1cc(CNC2CC2)co1.
What is the InChIKey of N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is KXCHRHFGRYYFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)5-6-16-10-14-7-12(9-17-14)8-15-13-3-4-13/h7,9,13,15H,1,3-6,8,10H2,2H3.
What are the key properties of N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114470626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).