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

C17H27NS — CID 43530007

IUPAC(2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine
SMILESCCC(C)SC1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C17H27NS/c1-3-13(2)19-17-11-15(9-10-16(17)12-18)14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12,18H2,1-2H3
InChIKeyCNOHRHUSAOHENC-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.43
Rot. Bonds5

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

(2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine (PubChem CID 43530007) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is (2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine
PubChem CID43530007
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name(2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine
SMILESCCC(C)SC1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C17H27NS/c1-3-13(2)19-17-11-15(9-10-16(17)12-18)14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12,18H2,1-2H3
InChIKeyCNOHRHUSAOHENC-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfanyl-4-phenylcyclohexane-1-carboxylic acid
CID 63097716
(2-cyclohexylsulfanyl-4-phenylcyclohexyl)methanamine
CID 63404643
(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine
CID 43530010
2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
CID 43293727
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293647
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine
CID 43530673
1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol
CID 62334960
2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine
CID 43568806
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
(2-butoxy-4-phenylcyclohexyl)methanamine
CID 43294246
4-phenyl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64633246
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine?
The IUPAC name of (2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine (CID 43530007) is (2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine.
What is the SMILES notation for (2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine?
The canonical SMILES for (2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine is CCC(C)SC1CC(c2ccccc2)CCC1CN.
What is the InChIKey of (2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine?
The InChIKey is CNOHRHUSAOHENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-13(2)19-17-11-15(9-10-16(17)12-18)14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12,18H2,1-2H3.
What are the key properties of (2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine?
(2-butan-2-ylsulfanyl-4-phenylcyclohexyl)methanamine has a molecular weight of 277.48 g/mol, XLogP of 4.43, 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-phenylcyclohexyl)methanamine is sourced from PubChem (CID 43530007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).