N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine

C13H22ClNS — CID 102904677

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc(Cl)s1)C(C)C
InChIInChI=1S/C13H22ClNS/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(14)16-11/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyJUDRTVCVRVJNKP-UHFFFAOYSA-N
MW259.85 g/mol
LogP4.42
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102904677) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102904677
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc(Cl)s1)C(C)C
InChIInChI=1S/C13H22ClNS/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(14)16-11/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyJUDRTVCVRVJNKP-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
1-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-diethylpropane-1,2-diamine
CID 115581225
N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763950
1-N-[(5-chlorothiophen-2-yl)methyl]-2-methylheptane-1,6-diamine
CID 65295684
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904213
2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 102903995
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
N-[(5-chlorothiophen-2-yl)methyl]-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 62554509
1-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpentan-3-amine
CID 106353765
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
CID 111425399
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine (CID 102904677) is N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1ccc(Cl)s1)C(C)C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is JUDRTVCVRVJNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNS/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(14)16-11/h5-6,9-10,12,15H,7-8H2,1-4H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 259.85 g/mol, XLogP of 4.42, 6 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]-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).