N-(2-ethylsulfanylethyl)pent-3-yn-1-amine

C9H17NS — CID 116643789

IUPACN-(2-ethylsulfanylethyl)pent-3-yn-1-amine
SMILESCC#CCCNCCSCC
InChIInChI=1S/C9H17NS/c1-3-5-6-7-10-8-9-11-4-2/h10H,4,6-9H2,1-2H3
InChIKeyRNXMWNWSSZYPNE-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.74
Rot. Bonds6

About N-(2-ethylsulfanylethyl)pent-3-yn-1-amine

N-(2-ethylsulfanylethyl)pent-3-yn-1-amine (PubChem CID 116643789) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)pent-3-yn-1-amine
PubChem CID116643789
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-(2-ethylsulfanylethyl)pent-3-yn-1-amine
SMILESCC#CCCNCCSCC
InChIInChI=1S/C9H17NS/c1-3-5-6-7-10-8-9-11-4-2/h10H,4,6-9H2,1-2H3
InChIKeyRNXMWNWSSZYPNE-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
6-ethylsulfanylhex-2-yne
CID 91281812
N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-yn-1-amine
CID 116643936
N-but-3-ynylpent-3-yn-1-amine
CID 104806965
N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine
CID 104806864
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167
2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine
CID 104668633
6-(2-ethylsulfanylethylamino)hexan-1-ol
CID 104668755
2-ethylsulfanyl-N-methylethanamine
CID 18683899
N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
CID 104669061

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)pent-3-yn-1-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)pent-3-yn-1-amine (CID 116643789) is N-(2-ethylsulfanylethyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)pent-3-yn-1-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)pent-3-yn-1-amine is CC#CCCNCCSCC.
What is the InChIKey of N-(2-ethylsulfanylethyl)pent-3-yn-1-amine?
The InChIKey is RNXMWNWSSZYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-5-6-7-10-8-9-11-4-2/h10H,4,6-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfanylethyl)pent-3-yn-1-amine?
N-(2-ethylsulfanylethyl)pent-3-yn-1-amine has a molecular weight of 171.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)pent-3-yn-1-amine is sourced from PubChem (CID 116643789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).