2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine

C10H24N2S — CID 103088925

IUPAC2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine
SMILESCCC(C)NC(CN)CCCSC
InChIInChI=1S/C10H24N2S/c1-4-9(2)12-10(8-11)6-5-7-13-3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyKUMZFUVHKUDWJK-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.85
Rot. Bonds8

About 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine

2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine (PubChem CID 103088925) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine
PubChem CID103088925
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC Name2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine
SMILESCCC(C)NC(CN)CCCSC
InChIInChI=1S/C10H24N2S/c1-4-9(2)12-10(8-11)6-5-7-13-3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyKUMZFUVHKUDWJK-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[1-(methylsulfanylmethyl)propyl]ethane-1,2-diamine
CID 16727461
2-[[(5S)-5-[(dimethylamino)methylsulfanyl]-5-fluoropentyl]amino]ethyl-trimethylazanium
CID 169837117
2,13-Dithia-6,9-diazatetradecane
CID 23422460
5-methylsulfanyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 103088956
2-N-(2,2-difluoroethyl)-5-methylsulfanylpentane-1,2-diamine
CID 103089016
N-(3-methylsulfanylpropyl)octan-2-amine
CID 16258993
N~1~-1,4-dithiepan-6-yl-N~2~,N~2~-dimethylpentane-1,2-diamine
CID 56715088
5-(Methylamino)-4-(2-sulfanylethylamino)pentane-2-thiol
CID 17797795
N-(3-methylsulfanylpropyl)pentan-1-amine
CID 20343102
N'-[2-(3-ethylsulfanylpropylamino)ethyl]ethane-1,2-diamine
CID 20527709
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655878

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine (CID 103088925) is 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine is CCC(C)NC(CN)CCCSC.
What is the InChIKey of 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine?
The InChIKey is KUMZFUVHKUDWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-4-9(2)12-10(8-11)6-5-7-13-3/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine?
2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine is sourced from PubChem (CID 103088925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).