5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine

C14H29NOS — CID 113261734

IUPAC5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCCS(C)=O)C1
InChIInChI=1S/C14H29NOS/c1-11(2)13-7-6-12(3)10-14(13)15-8-5-9-17(4)16/h11-15H,5-10H2,1-4H3
InChIKeyPOERWAMDNRBNLD-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.81
Rot. Bonds6

About 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 113261734) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID113261734
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCCS(C)=O)C1
InChIInChI=1S/C14H29NOS/c1-11(2)13-7-6-12(3)10-14(13)15-8-5-9-17(4)16/h11-15H,5-10H2,1-4H3
InChIKeyPOERWAMDNRBNLD-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 113326984
N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 114158519
N-(3-methylsulfinylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448796
5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 106324727
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
N-(2-ethoxypropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 115724398

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine (CID 113261734) is 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCCCS(C)=O)C1.
What is the InChIKey of 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is POERWAMDNRBNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-11(2)13-7-6-12(3)10-14(13)15-8-5-9-17(4)16/h11-15H,5-10H2,1-4H3.
What are the key properties of 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 113261734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).