2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine

C10H24N2S — CID 60810848

IUPAC2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
SMILESCCC(C)N(C)C(CN)CCSC
InChIInChI=1S/C10H24N2S/c1-5-9(2)12(3)10(8-11)6-7-13-4/h9-10H,5-8,11H2,1-4H3
InChIKeyPOKKKDUVFLPJCA-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.80
Rot. Bonds7

About 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine

2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine (PubChem CID 60810848) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
PubChem CID60810848
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC Name2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
SMILESCCC(C)N(C)C(CN)CCSC
InChIInChI=1S/C10H24N2S/c1-5-9(2)12(3)10(8-11)6-7-13-4/h9-10H,5-8,11H2,1-4H3
InChIKeyPOKKKDUVFLPJCA-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112658412
2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine
CID 103089079
2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 79483686
2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088628
4-amino-3-[butan-2-yl(methyl)amino]butanamide
CID 66426678
2-N,2-N-bis(2-ethoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 82965661
2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675543
2-N-methyl-2-N-(4-methylcyclohexyl)-4-methylsulfanylbutane-1,2-diamine
CID 61439507
2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60810845
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
2-N-(cyclopropylmethyl)-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60710078
2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112660772

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine (CID 60810848) is 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine is CCC(C)N(C)C(CN)CCSC.
What is the InChIKey of 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is POKKKDUVFLPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-5-9(2)12(3)10(8-11)6-7-13-4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 60810848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).