N-ethyl-2-propan-2-ylsulfanylpentan-3-amine

C10H23NS — CID 64632850

IUPACN-ethyl-2-propan-2-ylsulfanylpentan-3-amine
SMILESCCNC(CC)C(C)SC(C)C
InChIInChI=1S/C10H23NS/c1-6-10(11-7-2)9(5)12-8(3)4/h8-11H,6-7H2,1-5H3
InChIKeyWMKWJDSJSLQSSI-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.90
Rot. Bonds6

About N-ethyl-2-propan-2-ylsulfanylpentan-3-amine

N-ethyl-2-propan-2-ylsulfanylpentan-3-amine (PubChem CID 64632850) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-ethyl-2-propan-2-ylsulfanylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-ylsulfanylpentan-3-amine
PubChem CID64632850
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-ethyl-2-propan-2-ylsulfanylpentan-3-amine
SMILESCCNC(CC)C(C)SC(C)C
InChIInChI=1S/C10H23NS/c1-6-10(11-7-2)9(5)12-8(3)4/h8-11H,6-7H2,1-5H3
InChIKeyWMKWJDSJSLQSSI-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)pentane-2-thiol
CID 55286178
N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine
CID 79333580
N-ethyl-2-(3-methoxypropylsulfanyl)pentan-3-amine
CID 64627059
3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
CID 107772704
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
CID 103311641
3-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64632853
4-(ethylamino)hexan-3-ol
CID 130632244
2-propan-2-ylsulfanylpentan-3-amine
CID 64633850
2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine
CID 64649608
2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine
CID 103291071
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
CID 64650376
3-[4-(ethylamino)heptan-3-ylsulfanyl]butan-1-ol
CID 66137114

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-ylsulfanylpentan-3-amine?
The IUPAC name of N-ethyl-2-propan-2-ylsulfanylpentan-3-amine (CID 64632850) is N-ethyl-2-propan-2-ylsulfanylpentan-3-amine.
What is the SMILES notation for N-ethyl-2-propan-2-ylsulfanylpentan-3-amine?
The canonical SMILES for N-ethyl-2-propan-2-ylsulfanylpentan-3-amine is CCNC(CC)C(C)SC(C)C.
What is the InChIKey of N-ethyl-2-propan-2-ylsulfanylpentan-3-amine?
The InChIKey is WMKWJDSJSLQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-6-10(11-7-2)9(5)12-8(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of N-ethyl-2-propan-2-ylsulfanylpentan-3-amine?
N-ethyl-2-propan-2-ylsulfanylpentan-3-amine has a molecular weight of 189.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-ylsulfanylpentan-3-amine is sourced from PubChem (CID 64632850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).