1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine

C17H29NS — CID 81030835

IUPAC1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1Cc1ccsc1
InChIInChI=1S/C17H29NS/c1-17(2,3)16-6-5-14(11-18-4)15(10-16)9-13-7-8-19-12-13/h7-8,12,14-16,18H,5-6,9-11H2,1-4H3
InChIKeyGKUFBEPOCOZNLR-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.59
Rot. Bonds4

About 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81030835) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine
PubChem CID81030835
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1Cc1ccsc1
InChIInChI=1S/C17H29NS/c1-17(2,3)16-6-5-14(11-18-4)15(10-16)9-13-7-8-19-12-13/h7-8,12,14-16,18H,5-6,9-11H2,1-4H3
InChIKeyGKUFBEPOCOZNLR-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(thiophen-3-ylmethyl)cyclopentyl]methanamine
CID 81032845
1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030981
1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025461
N-methyl-1-[2-(2-thiophen-3-ylethyl)cyclopentyl]methanamine
CID 81034577
N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
CID 53275665
N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine
CID 81032402
1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025663
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81025880
1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 81030458
N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81026994

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine (CID 81030835) is 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)(C)C)CC1Cc1ccsc1.
What is the InChIKey of 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is GKUFBEPOCOZNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-17(2,3)16-6-5-14(11-18-4)15(10-16)9-13-7-8-19-12-13/h7-8,12,14-16,18H,5-6,9-11H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 279.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81030835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).