N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine

C11H26N2S2 — CID 166770539

IUPACN,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine
SMILESCNCC(C)(C)SCNCC(C)(C)SC
InChIInChI=1S/C11H26N2S2/c1-10(2,14-6)8-13-9-15-11(3,4)7-12-5/h12-13H,7-9H2,1-6H3
InChIKeyNHFILDMRKGYKNP-UHFFFAOYSA-N
MW250.48 g/mol
LogP2.41
Rot. Bonds8

About N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine

N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine (PubChem CID 166770539) has the molecular formula C11H26N2S2 and a molecular weight of 250.48 g/mol. Its IUPAC name is N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine
PubChem CID166770539
Molecular FormulaC11H26N2S2
Molecular Weight250.48 g/mol
Exact Mass250.15
IUPAC NameN,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine
SMILESCNCC(C)(C)SCNCC(C)(C)SC
InChIInChI=1S/C11H26N2S2/c1-10(2,14-6)8-13-9-15-11(3,4)7-12-5/h12-13H,7-9H2,1-6H3
InChIKeyNHFILDMRKGYKNP-UHFFFAOYSA-N
XLogP2.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine (CID 166770539) is N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine is CNCC(C)(C)SCNCC(C)(C)SC.
What is the InChIKey of N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine?
The InChIKey is NHFILDMRKGYKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S2/c1-10(2,14-6)8-13-9-15-11(3,4)7-12-5/h12-13H,7-9H2,1-6H3.
What are the key properties of N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine?
N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine has a molecular weight of 250.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[[(2-methyl-2-methylsulfanylpropyl)amino]methylsulfanyl]propan-1-amine is sourced from PubChem (CID 166770539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).