2-propan-2-ylsulfanyl-2-propylpentan-1-amine

C11H25NS — CID 65134616

IUPAC2-propan-2-ylsulfanyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)SC(C)C
InChIInChI=1S/C11H25NS/c1-5-7-11(9-12,8-6-2)13-10(3)4/h10H,5-9,12H2,1-4H3
InChIKeyBLCKHRYSHBIRLN-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.43
Rot. Bonds7

About 2-propan-2-ylsulfanyl-2-propylpentan-1-amine

2-propan-2-ylsulfanyl-2-propylpentan-1-amine (PubChem CID 65134616) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-2-propylpentan-1-amine
PubChem CID65134616
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name2-propan-2-ylsulfanyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)SC(C)C
InChIInChI=1S/C11H25NS/c1-5-7-11(9-12,8-6-2)13-10(3)4/h10H,5-9,12H2,1-4H3
InChIKeyBLCKHRYSHBIRLN-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)sulfanyl-2-propylpentan-1-amine
CID 66096789
2-cyclohexylsulfanyl-2-propylpentan-1-amine
CID 65139417
2-N-propan-2-yl-2-propylpentane-1,2-diamine
CID 62066790
3-(aminomethyl)-3-propylhexan-1-ol
CID 66092129
3-aminohexane-2,3-diol
CID 87595978
2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine
CID 66146188
3,3-dipropylhexan-2-amine
CID 126618281
2-butyl-2-propylpentane-1,5-diamine
CID 71310126
2-N-butan-2-yl-2-methylpropane-1,2-diamine
CID 65382863
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
2-fluoro-2-methylpentan-1-amine
CID 84716027
3-[4-(aminomethyl)heptan-4-yloxy]butan-2-ol
CID 103377078

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-2-propylpentan-1-amine?
The IUPAC name of 2-propan-2-ylsulfanyl-2-propylpentan-1-amine (CID 65134616) is 2-propan-2-ylsulfanyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-2-propylpentan-1-amine?
The canonical SMILES for 2-propan-2-ylsulfanyl-2-propylpentan-1-amine is CCCC(CN)(CCC)SC(C)C.
What is the InChIKey of 2-propan-2-ylsulfanyl-2-propylpentan-1-amine?
The InChIKey is BLCKHRYSHBIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-5-7-11(9-12,8-6-2)13-10(3)4/h10H,5-9,12H2,1-4H3.
What are the key properties of 2-propan-2-ylsulfanyl-2-propylpentan-1-amine?
2-propan-2-ylsulfanyl-2-propylpentan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-2-propylpentan-1-amine is sourced from PubChem (CID 65134616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).