N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine

C15H29N3S — CID 105138214

IUPACN-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
SMILESCCCCCCCCCCC(NCC)c1cnsn1
InChIInChI=1S/C15H29N3S/c1-3-5-6-7-8-9-10-11-12-14(16-4-2)15-13-17-19-18-15/h13-14,16H,3-12H2,1-2H3
InChIKeyGTCHQTQKNRCBKG-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.72
Rot. Bonds12

About N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine

N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine (PubChem CID 105138214) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
PubChem CID105138214
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
SMILESCCCCCCCCCCC(NCC)c1cnsn1
InChIInChI=1S/C15H29N3S/c1-3-5-6-7-8-9-10-11-12-14(16-4-2)15-13-17-19-18-15/h13-14,16H,3-12H2,1-2H3
InChIKeyGTCHQTQKNRCBKG-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
N-ethyl-1-(thiadiazol-4-yl)heptan-1-amine
CID 105126169
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105168600
4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
CID 63839591
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
CID 105149148
3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
CID 105102816

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine?
The IUPAC name of N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine (CID 105138214) is N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine.
What is the SMILES notation for N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine?
The canonical SMILES for N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine is CCCCCCCCCCC(NCC)c1cnsn1.
What is the InChIKey of N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine?
The InChIKey is GTCHQTQKNRCBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-3-5-6-7-8-9-10-11-12-14(16-4-2)15-13-17-19-18-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine?
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine is sourced from PubChem (CID 105138214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).