6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine

C13H22BrNS — CID 65306600

IUPAC6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
SMILESCC(C)NCCCCCCc1ccc(Br)s1
InChIInChI=1S/C13H22BrNS/c1-11(2)15-10-6-4-3-5-7-12-8-9-13(14)16-12/h8-9,11,15H,3-7,10H2,1-2H3
InChIKeyJNAGMHXZBCTSAW-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.61
Rot. Bonds8

About 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine

6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine (PubChem CID 65306600) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
PubChem CID65306600
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
SMILESCC(C)NCCCCCCc1ccc(Br)s1
InChIInChI=1S/C13H22BrNS/c1-11(2)15-10-6-4-3-5-7-12-8-9-13(14)16-12/h8-9,11,15H,3-7,10H2,1-2H3
InChIKeyJNAGMHXZBCTSAW-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.61
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

5-(5-bromothiophen-2-yl)-N-propan-2-ylpentan-1-amine
CID 65305713
6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
CID 65306697
4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018832
4-(5-bromo-4-chlorothiophen-2-yl)-N-propan-2-ylbutan-1-amine
CID 80532466
5-(5-bromothiophen-2-yl)-N-propylpentan-2-amine
CID 64504724
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
2-bromo-5-(4-bromopentyl)thiophene
CID 64507800
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
N-[2-(5-bromothiophen-2-yl)ethyl]formamide
CID 106043586

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine (CID 65306600) is 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine is CC(C)NCCCCCCc1ccc(Br)s1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine?
The InChIKey is JNAGMHXZBCTSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-11(2)15-10-6-4-3-5-7-12-8-9-13(14)16-12/h8-9,11,15H,3-7,10H2,1-2H3.
What are the key properties of 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine?
6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine has a molecular weight of 304.30 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 65306600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).