4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine

C18H31NS — CID 63401632

IUPAC4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1Cc1cccs1
InChIInChI=1S/C18H31NS/c1-5-10-19-17-9-8-15(18(2,3)4)12-14(17)13-16-7-6-11-20-16/h6-7,11,14-15,17,19H,5,8-10,12-13H2,1-4H3
InChIKeyUFZURGBPOQNVKA-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.12
Rot. Bonds5

About 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine

4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 63401632) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID63401632
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1Cc1cccs1
InChIInChI=1S/C18H31NS/c1-5-10-19-17-9-8-15(18(2,3)4)12-14(17)13-16-7-6-11-20-16/h6-7,11,14-15,17,19H,5,8-10,12-13H2,1-4H3
InChIKeyUFZURGBPOQNVKA-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 107044692
4-tert-butyl-N-ethyl-2-(furan-2-ylmethyl)cyclohexan-1-amine
CID 63401760
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63401494
N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 55207614
N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435
2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403838
N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 83195896
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 63401632) is 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1Cc1cccs1.
What is the InChIKey of 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is UFZURGBPOQNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-5-10-19-17-9-8-15(18(2,3)4)12-14(17)13-16-7-6-11-20-16/h6-7,11,14-15,17,19H,5,8-10,12-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine?
4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 63401632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).