N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine

C10H12BrNS — CID 115696389

IUPACN-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
SMILESBrc1csc(CNC2CC=CC2)c1
InChIInChI=1S/C10H12BrNS/c11-8-5-10(13-7-8)6-12-9-3-1-2-4-9/h1-2,5,7,9,12H,3-4,6H2
InChIKeyQJPDJGLEYHVYIO-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.32
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine

N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696389) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
PubChem CID115696389
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
SMILESBrc1csc(CNC2CC=CC2)c1
InChIInChI=1S/C10H12BrNS/c11-8-5-10(13-7-8)6-12-9-3-1-2-4-9/h1-2,5,7,9,12H,3-4,6H2
InChIKeyQJPDJGLEYHVYIO-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.32
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]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104588894
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197
N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine
CID 103081827
N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
CID 54866584
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43434784
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
1-[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747754
N-[(4-bromothiophen-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903525
N-[(4-bromothiophen-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47250169
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine (CID 115696389) is N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine is Brc1csc(CNC2CC=CC2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is QJPDJGLEYHVYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c11-8-5-10(13-7-8)6-12-9-3-1-2-4-9/h1-2,5,7,9,12H,3-4,6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine?
N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 258.18 g/mol, XLogP of 3.32, 3 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]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).