N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

C16H26ClNS — CID 102764112

IUPACN-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)s1)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H26ClNS/c1-7-8-18-12(11-9-10(2)14(17)19-11)13-15(3,4)16(13,5)6/h9,12-13,18H,7-8H2,1-6H3
InChIKeyGJIZMLSSDBMPKE-UHFFFAOYSA-N
MW299.91 g/mol
LogP5.43
Rot. Bonds5

About N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (PubChem CID 102764112) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
PubChem CID102764112
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC NameN-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)s1)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H26ClNS/c1-7-8-18-12(11-9-10(2)14(17)19-11)13-15(3,4)16(13,5)6/h9,12-13,18H,7-8H2,1-6H3
InChIKeyGJIZMLSSDBMPKE-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.91
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194
N-[(2-chloro-4,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 115484202
2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene
CID 102764774
1-(5-chloro-4-methylthiophen-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 102764092
N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 102764061
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475549
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 102764082
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 102764197
N-[(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 102764221
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methyl]propan-1-amine
CID 102764059
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine
CID 102764036

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (CID 102764112) is N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cc(C)c(Cl)s1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is GJIZMLSSDBMPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-7-8-18-12(11-9-10(2)14(17)19-11)13-15(3,4)16(13,5)6/h9,12-13,18H,7-8H2,1-6H3.
What are the key properties of N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 299.91 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 102764112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).