N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine

C10H15NO — CID 107907535

IUPACN-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
SMILESC=CC(C)N[C@H](C)c1ccco1
InChIInChI=1S/C10H15NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h4-9,11H,1H2,2-3H3/t8?,9-/m1/s1
InChIKeyUJEQPRQUIWHZRH-YGPZHTELSA-N
MW165.24 g/mol
LogP2.50
Rot. Bonds4

About N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine

N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine (PubChem CID 107907535) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
PubChem CID107907535
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
SMILESC=CC(C)N[C@H](C)c1ccco1
InChIInChI=1S/C10H15NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h4-9,11H,1H2,2-3H3/t8?,9-/m1/s1
InChIKeyUJEQPRQUIWHZRH-YGPZHTELSA-N
XLogP2.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 102869882
N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine (CID 107907535) is N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine is C=CC(C)N[C@H](C)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine?
The InChIKey is UJEQPRQUIWHZRH-YGPZHTELSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h4-9,11H,1H2,2-3H3/t8?,9-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine?
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine has a molecular weight of 165.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine is sourced from PubChem (CID 107907535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).