5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine

C10H16BrNS — CID 64504462

IUPAC5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
SMILESCNC(C)CCCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNS/c1-8(12-2)4-3-5-10-6-9(11)7-13-10/h6-8,12H,3-5H2,1-2H3
InChIKeyLRIRLHCQQFGOCC-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.44
Rot. Bonds5

About 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine

5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine (PubChem CID 64504462) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
PubChem CID64504462
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
SMILESCNC(C)CCCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNS/c1-8(12-2)4-3-5-10-6-9(11)7-13-10/h6-8,12H,3-5H2,1-2H3
InChIKeyLRIRLHCQQFGOCC-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 62530823
4-bromo-2-(3-bromo-4-methylpentyl)thiophene
CID 63472952
3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
CID 62530402
1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine
CID 115847608
4-(4-bromothiophen-2-yl)-2-methylbutanal
CID 64665376
4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol
CID 64513517
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
CID 115198009
1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine
CID 116718957
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
CID 62732795
N-(3-amino-2-methylpropyl)-4-(4-bromothiophen-2-yl)butanamide
CID 115271782

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine?
The IUPAC name of 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine (CID 64504462) is 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine is CNC(C)CCCc1cc(Br)cs1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine?
The InChIKey is LRIRLHCQQFGOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-8(12-2)4-3-5-10-6-9(11)7-13-10/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine?
5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine has a molecular weight of 262.22 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 64504462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).