N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine

C11H25NS — CID 62579088

IUPACN-(2-propan-2-ylsulfanylpropyl)pentan-3-amine
SMILESCCC(CC)NCC(C)SC(C)C
InChIInChI=1S/C11H25NS/c1-6-11(7-2)12-8-10(5)13-9(3)4/h9-12H,6-8H2,1-5H3
InChIKeyPEZORQKJMLBIMR-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.29
Rot. Bonds7

About N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine

N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine (PubChem CID 62579088) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfanylpropyl)pentan-3-amine
PubChem CID62579088
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-(2-propan-2-ylsulfanylpropyl)pentan-3-amine
SMILESCCC(CC)NCC(C)SC(C)C
InChIInChI=1S/C11H25NS/c1-6-11(7-2)12-8-10(5)13-9(3)4/h9-12H,6-8H2,1-5H3
InChIKeyPEZORQKJMLBIMR-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
(2R)-2-propan-2-ylsulfanylbutane
CID 92859735
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488
N,2-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 115303228
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
N-[2-[(2-methylphenyl)methylsulfanyl]propyl]pentan-3-amine
CID 62770035
2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
CID 115899950
N-[2-(3-bromophenyl)sulfanylpropyl]pentan-3-amine
CID 63516309
N-[2-(3-chlorophenyl)sulfanylpropyl]pentan-3-amine
CID 63516794
2-propan-2-ylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62579087
2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine
CID 115714146

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine?
The IUPAC name of N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine (CID 62579088) is N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine?
The canonical SMILES for N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine is CCC(CC)NCC(C)SC(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine?
The InChIKey is PEZORQKJMLBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-11(7-2)12-8-10(5)13-9(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine?
N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine has a molecular weight of 203.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine is sourced from PubChem (CID 62579088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).