N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine

C10H16ClNS — CID 28565422

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNS/c1-4-10(2,3)12-7-8-5-6-9(11)13-8/h5-6,12H,4,7H2,1-3H3
InChIKeyDMJDQLNPMQROEU-UHFFFAOYSA-N
MW217.76 g/mol
LogP3.68
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine (PubChem CID 28565422) has the molecular formula C10H16ClNS and a molecular weight of 217.76 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
PubChem CID28565422
Molecular FormulaC10H16ClNS
Molecular Weight217.76 g/mol
Exact Mass217.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNS/c1-4-10(2,3)12-7-8-5-6-9(11)13-8/h5-6,12H,4,7H2,1-3H3
InChIKeyDMJDQLNPMQROEU-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103698467
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836550
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 115621660
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701
N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
CID 47071854
N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
CID 115609606
4-butan-2-yl-N-[(5-chlorothiophen-2-yl)methyl]aniline
CID 43230074
1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 55598709

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine (CID 28565422) is N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine?
The InChIKey is DMJDQLNPMQROEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS/c1-4-10(2,3)12-7-8-5-6-9(11)13-8/h5-6,12H,4,7H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine has a molecular weight of 217.76 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 28565422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).