N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine

C14H24ClNS — CID 82215055

IUPACN-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine
SMILESCCCCN(CCCC)CC(Cl)c1cccs1
InChIInChI=1S/C14H24ClNS/c1-3-5-9-16(10-6-4-2)12-13(15)14-8-7-11-17-14/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyFPADSYQPDSSQHR-UHFFFAOYSA-N
MW273.87 g/mol
LogP4.93
Rot. Bonds9

About N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine

N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine (PubChem CID 82215055) has the molecular formula C14H24ClNS and a molecular weight of 273.87 g/mol. Its IUPAC name is N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine
PubChem CID82215055
Molecular FormulaC14H24ClNS
Molecular Weight273.87 g/mol
Exact Mass273.13
IUPAC NameN-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine
SMILESCCCCN(CCCC)CC(Cl)c1cccs1
InChIInChI=1S/C14H24ClNS/c1-3-5-9-16(10-6-4-2)12-13(15)14-8-7-11-17-14/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyFPADSYQPDSSQHR-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.87
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074207
N-butyl-N-[2-chloro-2-(4-ethylphenyl)ethyl]butan-1-amine
CID 82214391
N',N'-dipropyl-2-thiophen-2-ylpropane-1,3-diamine
CID 82107436
2-(1-chloro-3-methylbutyl)thiophene
CID 61085151
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
2-tetradecan-7-ylthiophene
CID 137450901
4-chloro-4-thiophen-2-ylbutan-1-ol
CID 82366969
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
CID 69099152
2-heptadecan-5-ylthiophene
CID 19734009
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine (CID 82215055) is N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine is CCCCN(CCCC)CC(Cl)c1cccs1.
What is the InChIKey of N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine?
The InChIKey is FPADSYQPDSSQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNS/c1-3-5-9-16(10-6-4-2)12-13(15)14-8-7-11-17-14/h7-8,11,13H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine?
N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine has a molecular weight of 273.87 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine is sourced from PubChem (CID 82215055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).