N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine

C9H17NS — CID 134987477

IUPACN,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine
SMILESCCSC#CCN(CC)CC
InChIInChI=1S/C9H17NS/c1-4-10(5-2)8-7-9-11-6-3/h4-6,8H2,1-3H3
InChIKeyOSNNSAFGPWTGQN-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.04
Rot. Bonds4

About N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine

N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine (PubChem CID 134987477) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine
PubChem CID134987477
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine
SMILESCCSC#CCN(CC)CC
InChIInChI=1S/C9H17NS/c1-4-10(5-2)8-7-9-11-6-3/h4-6,8H2,1-3H3
InChIKeyOSNNSAFGPWTGQN-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfanylprop-2-ynyl)-N-propylbut-3-en-1-amine
CID 166901383
O-[4-(diethylamino)but-2-ynyl]hydroxylamine
CID 11615329
3-(4-tert-butylphenyl)-N,N-diethylprop-2-yn-1-amine
CID 146002814
N,N-diethyl-4,4-diphenylbut-2-yn-1-amine
CID 1415531
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine chloride
CID 22292735
N,N-diethylethanamine;palladium(2+)
CID 22219787
CID 175820473
CID 175820473
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N,N-diethylethanamine;sulfur dioxide
CID 12824984
ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine
CID 144712183

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine?
The IUPAC name of N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine (CID 134987477) is N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine.
What is the SMILES notation for N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine?
The canonical SMILES for N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine is CCSC#CCN(CC)CC.
What is the InChIKey of N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine?
The InChIKey is OSNNSAFGPWTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-4-10(5-2)8-7-9-11-6-3/h4-6,8H2,1-3H3.
What are the key properties of N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine?
N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine is sourced from PubChem (CID 134987477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).