N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine

C11H16BrNS — CID 79346871

IUPACN-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC=Cc1ccc(Br)s1
InChIInChI=1S/C11H16BrNS/c1-9(2)8-13-7-3-4-10-5-6-11(12)14-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyRUQGYQHKDCLAAK-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.77
Rot. Bonds5

About N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine

N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine (PubChem CID 79346871) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
PubChem CID79346871
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC=Cc1ccc(Br)s1
InChIInChI=1S/C11H16BrNS/c1-9(2)8-13-7-3-4-10-5-6-11(12)14-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyRUQGYQHKDCLAAK-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.77
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-[3-[5-(4-chlorophenyl)thiophen-2-yl]prop-2-enyl]-2-methylpropan-1-amine
CID 79347427
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
2-bromo-5-[(E)-but-1-enyl]thiophene
CID 58787087
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide
CID 169466781
N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79426690
N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347868
2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene
CID 82094488
(E)-3-(5-bromothiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)prop-2-enamide
CID 102914567
N-[3-(2,6-difluorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347750
N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 115525800
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
(E)-3-(5-bromothiophen-2-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115410076

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine (CID 79346871) is N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine is CC(C)CNCC=Cc1ccc(Br)s1.
What is the InChIKey of N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine?
The InChIKey is RUQGYQHKDCLAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-9(2)8-13-7-3-4-10-5-6-11(12)14-10/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine?
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79346871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).