N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

C16H21N3O — CID 50972306

IUPACN-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESC/C(=C\c1ccco1)CN(Cc1nccn1C)C1CC1
InChIInChI=1S/C16H21N3O/c1-13(10-15-4-3-9-20-15)11-19(14-5-6-14)12-16-17-7-8-18(16)2/h3-4,7-10,14H,5-6,11-12H2,1-2H3/b13-10+
InChIKeyRZYDFOJISAIQOJ-JLHYYAGUSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds6

About N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 50972306) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
PubChem CID50972306
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESC/C(=C\c1ccco1)CN(Cc1nccn1C)C1CC1
InChIInChI=1S/C16H21N3O/c1-13(10-15-4-3-9-20-15)11-19(14-5-6-14)12-16-17-7-8-18(16)2/h3-4,7-10,14H,5-6,11-12H2,1-2H3/b13-10+
InChIKeyRZYDFOJISAIQOJ-JLHYYAGUSA-N
XLogP3.08
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (CID 50972306) is N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is C/C(=C\c1ccco1)CN(Cc1nccn1C)C1CC1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is RZYDFOJISAIQOJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(10-15-4-3-9-20-15)11-19(14-5-6-14)12-16-17-7-8-18(16)2/h3-4,7-10,14H,5-6,11-12H2,1-2H3/b13-10+.
What are the key properties of N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 50972306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).