2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine

C17H29NS — CID 43673911

IUPAC2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CCCCC2C(C)(C)C)s1
InChIInChI=1S/C17H29NS/c1-12-10-11-16(19-12)13(2)18-15-9-7-6-8-14(15)17(3,4)5/h10-11,13-15,18H,6-9H2,1-5H3
InChIKeyWZTHKCPTRYTCNR-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.31
Rot. Bonds3

About 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 43673911) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine
PubChem CID43673911
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CCCCC2C(C)(C)C)s1
InChIInChI=1S/C17H29NS/c1-12-10-11-16(19-12)13(2)18-15-9-7-6-8-14(15)17(3,4)5/h10-11,13-15,18H,6-9H2,1-5H3
InChIKeyWZTHKCPTRYTCNR-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62743330
2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine
CID 115336297
tert-butyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]piperidine-1-carboxylate
CID 107256654
(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol
CID 43673859
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
9-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471234
2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43079642
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81389693

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine (CID 43673911) is 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine is Cc1ccc(C(C)NC2CCCCC2C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is WZTHKCPTRYTCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-12-10-11-16(19-12)13(2)18-15-9-7-6-8-14(15)17(3,4)5/h10-11,13-15,18H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43673911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).