N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine

C14H29NO2S — CID 64646429

IUPACN-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1S(=O)(=O)CC(C)C
InChIInChI=1S/C14H29NO2S/c1-6-15-12-7-8-14(4,5)9-13(12)18(16,17)10-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyLHFQAXDTOHRILD-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine

N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine (PubChem CID 64646429) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine
PubChem CID64646429
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1S(=O)(=O)CC(C)C
InChIInChI=1S/C14H29NO2S/c1-6-15-12-7-8-14(4,5)9-13(12)18(16,17)10-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyLHFQAXDTOHRILD-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862706
2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66321323
7-(2-methylpropylsulfonyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64645625
2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66231563
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64715674
N-methyl-2-(2-methylpropylsulfonyl)cyclododecan-1-amine
CID 64646822
N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64655460
N-ethyl-4,4-dimethyl-2-(4-propan-2-ylphenyl)sulfanylcyclohexan-1-amine
CID 64622047
2-methylpropylsulfonylcyclopropane
CID 58333627
2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 65281267
3,3-dimethyl-N-(2-methylpropylsulfamoyl)cyclopentan-1-amine
CID 114814941
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64746326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine (CID 64646429) is N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine is CCNC1CCC(C)(C)CC1S(=O)(=O)CC(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine?
The InChIKey is LHFQAXDTOHRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-6-15-12-7-8-14(4,5)9-13(12)18(16,17)10-11(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine?
N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 64646429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).