2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine

C13H30N2S — CID 112658708

IUPAC2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine
SMILESCSCC(C)N(C)C(C)(CN)CCC(C)C
InChIInChI=1S/C13H30N2S/c1-11(2)7-8-13(4,10-14)15(5)12(3)9-16-6/h11-12H,7-10,14H2,1-6H3
InChIKeyDTIAAANIXLDWIK-UHFFFAOYSA-N
MW246.46 g/mol
LogP2.82
Rot. Bonds8

About 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine

2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine (PubChem CID 112658708) has the molecular formula C13H30N2S and a molecular weight of 246.46 g/mol. Its IUPAC name is 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine
PubChem CID112658708
Molecular FormulaC13H30N2S
Molecular Weight246.46 g/mol
Exact Mass246.21
IUPAC Name2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine
SMILESCSCC(C)N(C)C(C)(CN)CCC(C)C
InChIInChI=1S/C13H30N2S/c1-11(2)7-8-13(4,10-14)15(5)12(3)9-16-6/h11-12H,7-10,14H2,1-6H3
InChIKeyDTIAAANIXLDWIK-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43274363
2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine
CID 80558210
2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine
CID 63471970
2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
2-N-cyclopentyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43540970
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
2-N-cyclohexyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43409655
2-N-(cyclopropylmethyl)-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 63956765
2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
CID 78974063
2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
CID 60709986
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337

Frequently Asked Questions

What is the IUPAC name of 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine?
The IUPAC name of 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine (CID 112658708) is 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine is CSCC(C)N(C)C(C)(CN)CCC(C)C.
What is the InChIKey of 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine?
The InChIKey is DTIAAANIXLDWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2S/c1-11(2)7-8-13(4,10-14)15(5)12(3)9-16-6/h11-12H,7-10,14H2,1-6H3.
What are the key properties of 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine?
2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine has a molecular weight of 246.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine is sourced from PubChem (CID 112658708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).