N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine

C15H25NS — CID 66350151

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine
SMILESCCC(C)(C)C1CCC(Nc2ccsc2)CC1
InChIInChI=1S/C15H25NS/c1-4-15(2,3)12-5-7-13(8-6-12)16-14-9-10-17-11-14/h9-13,16H,4-8H2,1-3H3
InChIKeyDZWWHYXFQVVGTK-UHFFFAOYSA-N
MW251.44 g/mol
LogP5.16
Rot. Bonds4

About N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine

N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine (PubChem CID 66350151) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine
PubChem CID66350151
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine
SMILESCCC(C)(C)C1CCC(Nc2ccsc2)CC1
InChIInChI=1S/C15H25NS/c1-4-15(2,3)12-5-7-13(8-6-12)16-14-9-10-17-11-14/h9-13,16H,4-8H2,1-3H3
InChIKeyDZWWHYXFQVVGTK-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66352095
CID 66352095
CID 66352296
CID 66352296
CID 66352568
CID 66352568
CID 165449464
CID 165449464
CID 12181853
CID 12181853
CID 11806737
CID 11806737
CID 57222885
CID 57222885
CID 57474431
CID 57474431
CID 59584057
CID 59584057
CID 63181743
CID 63181743
CID 66350600
CID 66350600
CID 66351280
CID 66351280

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine (CID 66350151) is N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine is CCC(C)(C)C1CCC(Nc2ccsc2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine?
The InChIKey is DZWWHYXFQVVGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-15(2,3)12-5-7-13(8-6-12)16-14-9-10-17-11-14/h9-13,16H,4-8H2,1-3H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine?
N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine has a molecular weight of 251.44 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophen-3-amine is sourced from PubChem (CID 66350151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).