2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine

C12H25NOS — CID 106662803

IUPAC2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCCCS(C)=O
InChIInChI=1S/C12H25NOS/c1-10-8-12(2,3)9-11(10)13-6-5-7-15(4)14/h10-11,13H,5-9H2,1-4H3
InChIKeyOPPAKBLBGXRYJP-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.17
Rot. Bonds5

About 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine

2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine (PubChem CID 106662803) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
PubChem CID106662803
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCCCS(C)=O
InChIInChI=1S/C12H25NOS/c1-10-8-12(2,3)9-11(10)13-6-5-7-15(4)14/h10-11,13H,5-9H2,1-4H3
InChIKeyOPPAKBLBGXRYJP-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
CID 99836162
2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine
CID 106662802
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine
CID 106659028
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
CID 99838091
N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
CID 106662472
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine (CID 106662803) is 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine is CC1CC(C)(C)CC1NCCCS(C)=O.
What is the InChIKey of 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine?
The InChIKey is OPPAKBLBGXRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-10-8-12(2,3)9-11(10)13-6-5-7-15(4)14/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 106662803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).