(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine

C13H27NS — CID 43530010

IUPAC(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CN)C(SC(C)CC)C1
InChIInChI=1S/C13H27NS/c1-4-10(3)15-13-8-11(5-2)6-7-12(13)9-14/h10-13H,4-9,14H2,1-3H3
InChIKeyCTNJVTZUILDWEX-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.67
Rot. Bonds5

About (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine

(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine (PubChem CID 43530010) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine
PubChem CID43530010
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CN)C(SC(C)CC)C1
InChIInChI=1S/C13H27NS/c1-4-10(3)15-13-8-11(5-2)6-7-12(13)9-14/h10-13H,4-9,14H2,1-3H3
InChIKeyCTNJVTZUILDWEX-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine
CID 43530007
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 55002153
2-butan-2-ylsulfanylcyclopentan-1-amine
CID 64613407
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine
CID 107767159
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
CID 63404764
(4-propyl-2-propylsulfanylcyclohexyl)methanamine
CID 43530082
[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine
CID 43530342

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine?
The IUPAC name of (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine (CID 43530010) is (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine.
What is the SMILES notation for (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine?
The canonical SMILES for (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine is CCC1CCC(CN)C(SC(C)CC)C1.
What is the InChIKey of (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine?
The InChIKey is CTNJVTZUILDWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-4-10(3)15-13-8-11(5-2)6-7-12(13)9-14/h10-13H,4-9,14H2,1-3H3.
What are the key properties of (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine?
(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine has a molecular weight of 229.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 43530010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).