N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

C13H20BrNS — CID 64921526

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(Br)s2)C1C
InChIInChI=1S/C13H20BrNS/c1-3-10-4-6-12(9(10)2)15-8-11-5-7-13(14)16-11/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3
InChIKeyHZIMUIBBEACZBS-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.42
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64921526) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID64921526
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(Br)s2)C1C
InChIInChI=1S/C13H20BrNS/c1-3-10-4-6-12(9(10)2)15-8-11-5-7-13(14)16-11/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3
InChIKeyHZIMUIBBEACZBS-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine with MolForge

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907544
N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine
CID 79956952
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
1-[(3R,4S)-4-[(5-bromothiophen-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097451
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909543
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
3-ethyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64921560
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
3-ethyl-2-methyl-N-(1H-pyrrol-2-ylmethyl)cyclopentan-1-amine
CID 64923322

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 64921526) is N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NCc2ccc(Br)s2)C1C.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is HZIMUIBBEACZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-3-10-4-6-12(9(10)2)15-8-11-5-7-13(14)16-11/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64921526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).