N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine

C10H23NS — CID 107757516

IUPACN-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine
SMILESCCNCC(C)SCC(C)CC
InChIInChI=1S/C10H23NS/c1-5-9(3)8-12-10(4)7-11-6-2/h9-11H,5-8H2,1-4H3
InChIKeyCIXPQTSYKWJCLM-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.76
Rot. Bonds7

About N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine

N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine (PubChem CID 107757516) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine
PubChem CID107757516
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine
SMILESCCNCC(C)SCC(C)CC
InChIInChI=1S/C10H23NS/c1-5-9(3)8-12-10(4)7-11-6-2/h9-11H,5-8H2,1-4H3
InChIKeyCIXPQTSYKWJCLM-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutylsulfanyl)pentan-2-one
CID 107752689
2-chloro-N-ethylbutan-1-amine
CID 57191582
2-(2-methylbutylsulfanyl)pentan-3-amine
CID 107763650
N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
CID 163239092
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
S-[(2R)-2-methylbutyl]thiohydroxylamine
CID 166670432
[5-(ethylamino)-2-ethylsulfanyl-4-methylpentyl]tin(3+)
CID 173288184
2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 62576949
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
2-methyl-1-(2-methylpropylsulfanyl)butane
CID 21026484
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine (CID 107757516) is N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine is CCNCC(C)SCC(C)CC.
What is the InChIKey of N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine?
The InChIKey is CIXPQTSYKWJCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-9(3)8-12-10(4)7-11-6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine?
N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine is sourced from PubChem (CID 107757516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).