N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine

C16H19NO2S — CID 67806745

IUPACN-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine
SMILESCN(c1ccc(COC/C=C/c2ccsc2)o1)C1CC1
InChIInChI=1S/C16H19NO2S/c1-17(14-4-5-14)16-7-6-15(19-16)11-18-9-2-3-13-8-10-20-12-13/h2-3,6-8,10,12,14H,4-5,9,11H2,1H3/b3-2+
InChIKeySQZXJVPQUJIUCD-NSCUHMNNSA-N
MW289.40 g/mol
LogP4.17
Rot. Bonds7

About N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine

N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine (PubChem CID 67806745) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine
PubChem CID67806745
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine
SMILESCN(c1ccc(COC/C=C/c2ccsc2)o1)C1CC1
InChIInChI=1S/C16H19NO2S/c1-17(14-4-5-14)16-7-6-15(19-16)11-18-9-2-3-13-8-10-20-12-13/h2-3,6-8,10,12,14H,4-5,9,11H2,1H3/b3-2+
InChIKeySQZXJVPQUJIUCD-NSCUHMNNSA-N
XLogP4.17
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine
CID 19917036
N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine
CID 19917104
(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine
CID 20603574
2-[(1E,4E)-2-(methoxymethyl)-8,8-dimethylnona-1,4-dien-6-ynyl]-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan
CID 19390200
3-[(E)-but-1-enyl]thiophene
CID 15047169
N-methyl-3-thiophen-3-ylprop-2-en-1-amine
CID 79347337
3-thiophen-3-ylprop-2-ene-1-thiol
CID 169454515
N-ethyl-N-(furan-2-ylmethyl)-6,6-dimethyl-5-(3-thiophen-3-ylprop-2-enoxymethyl)hept-4-en-2-yn-1-amine
CID 54244837
3-[(1E)-4-methylpenta-1,4-dienyl]thiophene
CID 18954556
(E)-6,6-dimethyl-N-propyl-N-[[3-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]phenyl]methyl]hept-2-en-4-yn-1-amine;hydrochloride
CID 19916971
N,N-dimethyl-3-phenyl-6-thiophen-3-ylhex-5-en-3-amine
CID 67942350
N-ethyl-6,6-dimethyl-N-[2-[2-(3-thiophen-3-ylprop-2-enoxy)ethoxy]ethyl]hept-4-yn-1-amine
CID 67892751

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine?
The IUPAC name of N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine (CID 67806745) is N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine.
What is the SMILES notation for N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine?
The canonical SMILES for N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine is CN(c1ccc(COC/C=C/c2ccsc2)o1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine?
The InChIKey is SQZXJVPQUJIUCD-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-17(14-4-5-14)16-7-6-15(19-16)11-18-9-2-3-13-8-10-20-12-13/h2-3,6-8,10,12,14H,4-5,9,11H2,1H3/b3-2+.
What are the key properties of N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine?
N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine has a molecular weight of 289.40 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine is sourced from PubChem (CID 67806745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).