N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine

C10H21NS — CID 123138972

IUPACN-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine
SMILESC=C(SCC)N(CC)CCCC
InChIInChI=1S/C10H21NS/c1-5-8-9-11(6-2)10(4)12-7-3/h4-9H2,1-3H3
InChIKeyUVRQDXMJKUQSJO-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.33
Rot. Bonds7

About N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine

N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine (PubChem CID 123138972) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine
PubChem CID123138972
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine
SMILESC=C(SCC)N(CC)CCCC
InChIInChI=1S/C10H21NS/c1-5-8-9-11(6-2)10(4)12-7-3/h4-9H2,1-3H3
InChIKeyUVRQDXMJKUQSJO-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine
CID 13639643
N-butyl-N-(ethylsulfanylmethyl)butan-1-amine
CID 20656531
N-(ethylsulfanylmethyl)-N-propylpropan-1-amine
CID 20656534
1-butylsulfanyl-N,N-dimethylethenamine
CID 44720585
N-methyl-N-(2-methylsulfanylethyl)butan-1-amine
CID 57953639
N-ethenyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 89719133
N-butyl-N-(2-methylsulfanylethyl)butan-1-amine
CID 112799684
N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine
CID 118346185
N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine
CID 123347597
N-(2-methylsulfanylethyl)-N-propylbutan-1-amine
CID 126607357
N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine
CID 139374004
1-butylsulfanyl-N-ethyl-N-methylethenamine
CID 142050758

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine?
The IUPAC name of N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine (CID 123138972) is N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine?
The canonical SMILES for N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine is C=C(SCC)N(CC)CCCC.
What is the InChIKey of N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine?
The InChIKey is UVRQDXMJKUQSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-8-9-11(6-2)10(4)12-7-3/h4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine?
N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine is sourced from PubChem (CID 123138972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).