N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine

C13H19NO — CID 102641139

IUPACN-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1ccoc1
InChIInChI=1S/C13H19NO/c1-3-13(2,10-14-12-4-5-12)8-11-6-7-15-9-11/h3,6-7,9,12,14H,1,4-5,8,10H2,2H3
InChIKeyVCRPJCKVMANWLO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine

N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 102641139) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
PubChem CID102641139
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1ccoc1
InChIInChI=1S/C13H19NO/c1-3-13(2,10-14-12-4-5-12)8-11-6-7-15-9-11/h3,6-7,9,12,14H,1,4-5,8,10H2,2H3
InChIKeyVCRPJCKVMANWLO-UHFFFAOYSA-N
XLogP2.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine (CID 102641139) is N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)Cc1ccoc1.
What is the InChIKey of N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is VCRPJCKVMANWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-13(2,10-14-12-4-5-12)8-11-6-7-15-9-11/h3,6-7,9,12,14H,1,4-5,8,10H2,2H3.
What are the key properties of N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine?
N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).