(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine

C12H17NO — CID 115865985

IUPAC(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
SMILESC(=C/c1ccco1)\CNCC1CCC1
InChIInChI=1S/C12H17NO/c1-4-11(5-1)10-13-8-2-6-12-7-3-9-14-12/h2-3,6-7,9,11,13H,1,4-5,8,10H2/b6-2+
InChIKeyATYQVILTSKGTSO-QHHAFSJGSA-N
MW191.27 g/mol
LogP2.68
Rot. Bonds5

About (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine

(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine (PubChem CID 115865985) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
PubChem CID115865985
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
SMILESC(=C/c1ccco1)\CNCC1CCC1
InChIInChI=1S/C12H17NO/c1-4-11(5-1)10-13-8-2-6-12-7-3-9-14-12/h2-3,6-7,9,11,13H,1,4-5,8,10H2/b6-2+
InChIKeyATYQVILTSKGTSO-QHHAFSJGSA-N
XLogP2.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.68
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

N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
CID 115865874
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115865979
(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 115865917
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
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
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol
CID 115866155
2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115866078

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine (CID 115865985) is (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine is C(=C/c1ccco1)\CNCC1CCC1.
What is the InChIKey of (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine?
The InChIKey is ATYQVILTSKGTSO-QHHAFSJGSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-11(5-1)10-13-8-2-6-12-7-3-9-14-12/h2-3,6-7,9,11,13H,1,4-5,8,10H2/b6-2+.
What are the key properties of (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine?
(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 115865985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).