N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine

C11H25NS — CID 64703230

IUPACN-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine
SMILESCCNC(C)CC(C)SCC(C)C
InChIInChI=1S/C11H25NS/c1-6-12-10(4)7-11(5)13-8-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyONLSMGOSTIMAEQ-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.15
Rot. Bonds7

About N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine

N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine (PubChem CID 64703230) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine
PubChem CID64703230
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine
SMILESCCNC(C)CC(C)SCC(C)C
InChIInChI=1S/C11H25NS/c1-6-12-10(4)7-11(5)13-8-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyONLSMGOSTIMAEQ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[4-(ethylamino)pentan-2-ylsulfanyl]acetate
CID 116687939
2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 62576949
4-butylsulfanyl-N-propylpentan-2-amine
CID 64703228
N-ethyl-5-methylhexan-2-amine
CID 24689543
5-(ethylamino)hexan-3-ol
CID 140740980
4-bromo-N-ethylbutan-2-amine
CID 83179522
1-butan-2-ylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614447
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 64708210
2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane
CID 135274514
2-(ethylamino)tetradecan-4-ol
CID 174619810
N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64612135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine?
The IUPAC name of N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine (CID 64703230) is N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine is CCNC(C)CC(C)SCC(C)C.
What is the InChIKey of N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine?
The InChIKey is ONLSMGOSTIMAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-12-10(4)7-11(5)13-8-9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine?
N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine is sourced from PubChem (CID 64703230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).