N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine

C11H25NS — CID 123327137

IUPACN-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine
SMILESC=CCC(C)N(CC)S(C)(C)CC
InChIInChI=1S/C11H25NS/c1-7-10-11(4)12(8-2)13(5,6)9-3/h7,11H,1,8-10H2,2-6H3
InChIKeyKTVVZRXXQZSPPS-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.27
Rot. Bonds6

About N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine

N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine (PubChem CID 123327137) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine
PubChem CID123327137
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine
SMILESC=CCC(C)N(CC)S(C)(C)CC
InChIInChI=1S/C11H25NS/c1-7-10-11(4)12(8-2)13(5,6)9-3/h7,11H,1,8-10H2,2-6H3
InChIKeyKTVVZRXXQZSPPS-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-methyl-3H-thiophen-2-amine
CID 57277605
(7Z)-2,3,4-trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 68315571
2,3,4-Trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 77476549
N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 88543479
N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88870045
5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
CID 88885670
(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine
CID 138478352
N-[[dimethyl(prop-2-enyl)-lambda4-sulfanyl]methyl]-2-methyl-N-propan-2-ylpent-4-en-2-amine
CID 155296705
N-(2-methylsulfanylethyl)pent-4-en-2-amine
CID 116095370
N-methyl-N-(2-methylsulfanylethyl)but-3-en-2-amine
CID 130649765
Hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium
CID 175470494

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine?
The IUPAC name of N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine (CID 123327137) is N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine.
What is the SMILES notation for N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine?
The canonical SMILES for N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine is C=CCC(C)N(CC)S(C)(C)CC.
What is the InChIKey of N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine?
The InChIKey is KTVVZRXXQZSPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-7-10-11(4)12(8-2)13(5,6)9-3/h7,11H,1,8-10H2,2-6H3.
What are the key properties of N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine?
N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[ethyl(dimethyl)-λ4-sulfanyl]pent-4-en-2-amine is sourced from PubChem (CID 123327137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).