2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine

C13H19NO — CID 115865979

IUPAC2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
SMILESCC(CNC/C=C/c1ccco1)C1CC1
InChIInChI=1S/C13H19NO/c1-11(12-6-7-12)10-14-8-2-4-13-5-3-9-15-13/h2-5,9,11-12,14H,6-8,10H2,1H3/b4-2+
InChIKeyHPZVVYFYRGCGPD-DUXPYHPUSA-N
MW205.30 g/mol
LogP2.93
Rot. Bonds6

About 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine

2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine (PubChem CID 115865979) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
PubChem CID115865979
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
SMILESCC(CNC/C=C/c1ccco1)C1CC1
InChIInChI=1S/C13H19NO/c1-11(12-6-7-12)10-14-8-2-4-13-5-3-9-15-13/h2-5,9,11-12,14H,6-8,10H2,1H3/b4-2+
InChIKeyHPZVVYFYRGCGPD-DUXPYHPUSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115866078
(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
CID 115865985
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
CID 103868550
(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
CID 115865959
N-[(E)-3-(furan-2-yl)prop-2-enyl]but-3-en-2-amine
CID 115866111
N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
CID 115865874
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 115865917
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine (CID 115865979) is 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine is CC(CNC/C=C/c1ccco1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine?
The InChIKey is HPZVVYFYRGCGPD-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(12-6-7-12)10-14-8-2-4-13-5-3-9-15-13/h2-5,9,11-12,14H,6-8,10H2,1H3/b4-2+.
What are the key properties of 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine?
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine is sourced from PubChem (CID 115865979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).