2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine

C14H29NS — CID 65133043

IUPAC2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine
SMILESCCC1CCCCC1C(N)CSC(C)(C)C
InChIInChI=1S/C14H29NS/c1-5-11-8-6-7-9-12(11)13(15)10-16-14(2,3)4/h11-13H,5-10,15H2,1-4H3
InChIKeyHTPSHKSFIXDRRJ-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.06
Rot. Bonds4

About 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine

2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine (PubChem CID 65133043) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine
PubChem CID65133043
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine
SMILESCCC1CCCCC1C(N)CSC(C)(C)C
InChIInChI=1S/C14H29NS/c1-5-11-8-6-7-9-12(11)13(15)10-16-14(2,3)4/h11-13H,5-10,15H2,1-4H3
InChIKeyHTPSHKSFIXDRRJ-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Fluoro-1-(thian-3-yl)propan-2-amine
CID 105437217
3-Fluoro-3-(thian-3-yl)butan-2-amine
CID 105445585
3-Fluoro-3-(thian-4-yl)butan-2-amine
CID 105445586
3-(2-Fluoropropyl)thian-4-amine
CID 115015002
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine
CID 10750601
1-Cyclohexyl-3-ethylsulfanylpropan-2-amine
CID 18361101
4-Cyclohexyl-1-ethylsulfanylbutan-1-amine;hydrochloride
CID 18361337
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride
CID 20699042
4-Cyclohexyl-1-ethylsulfanylbutan-2-amine
CID 53894771
1-Cyclohexyl-4-cyclohexylsulfanylbutan-2-amine
CID 54186295
[4-(Ethylsulfanylmethyl)cyclohexyl]methanamine
CID 54471482
3-Cyclohexyl-1-ethylsulfanylpropan-1-amine
CID 57217227

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine (CID 65133043) is 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine is CCC1CCCCC1C(N)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine?
The InChIKey is HTPSHKSFIXDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-5-11-8-6-7-9-12(11)13(15)10-16-14(2,3)4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine?
2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine has a molecular weight of 243.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 65133043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).