N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine

C11H16BrNS — CID 75525502

IUPACN-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cc(Br)cs1
InChIInChI=1S/C11H16BrNS/c1-3-4-5-9(2)13-7-11-6-10(12)8-14-11/h3,6,8-9,13H,1,4-5,7H2,2H3
InChIKeyRZHIGCXUJNQWCH-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.95
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine

N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine (PubChem CID 75525502) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
PubChem CID75525502
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cc(Br)cs1
InChIInChI=1S/C11H16BrNS/c1-3-4-5-9(2)13-7-11-6-10(12)8-14-11/h3,6,8-9,13H,1,4-5,7H2,2H3
InChIKeyRZHIGCXUJNQWCH-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.95
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-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
CID 62732795
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
N-[(3-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 104583115
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432954
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(4-bromothiophen-2-yl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353716
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine (CID 75525502) is N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine?
The InChIKey is RZHIGCXUJNQWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-3-4-5-9(2)13-7-11-6-10(12)8-14-11/h3,6,8-9,13H,1,4-5,7H2,2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine?
N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine has a molecular weight of 274.23 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 75525502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).