N-propyl-1-(thiadiazol-5-yl)undecan-1-amine

C16H31N3S — CID 105138198

IUPACN-propyl-1-(thiadiazol-5-yl)undecan-1-amine
SMILESCCCCCCCCCCC(NCCC)c1cnns1
InChIInChI=1S/C16H31N3S/c1-3-5-6-7-8-9-10-11-12-15(17-13-4-2)16-14-18-19-20-16/h14-15,17H,3-13H2,1-2H3
InChIKeyHFDLYHCWSDCVEY-UHFFFAOYSA-N
MW297.51 g/mol
LogP5.11
Rot. Bonds13

About N-propyl-1-(thiadiazol-5-yl)undecan-1-amine

N-propyl-1-(thiadiazol-5-yl)undecan-1-amine (PubChem CID 105138198) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-propyl-1-(thiadiazol-5-yl)undecan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(thiadiazol-5-yl)undecan-1-amine
PubChem CID105138198
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-propyl-1-(thiadiazol-5-yl)undecan-1-amine
SMILESCCCCCCCCCCC(NCCC)c1cnns1
InChIInChI=1S/C16H31N3S/c1-3-5-6-7-8-9-10-11-12-15(17-13-4-2)16-14-18-19-20-16/h14-15,17H,3-13H2,1-2H3
InChIKeyHFDLYHCWSDCVEY-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.51
LogP ≤ 55.11
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-(thiadiazol-5-yl)hexan-1-amine
CID 105129677
N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492
4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105139842
1-(thiadiazol-5-yl)hexan-1-ol
CID 105086141
N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105101683
3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152291
N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105087093
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiadiazol-5-yl)undecan-1-amine?
The IUPAC name of N-propyl-1-(thiadiazol-5-yl)undecan-1-amine (CID 105138198) is N-propyl-1-(thiadiazol-5-yl)undecan-1-amine.
What is the SMILES notation for N-propyl-1-(thiadiazol-5-yl)undecan-1-amine?
The canonical SMILES for N-propyl-1-(thiadiazol-5-yl)undecan-1-amine is CCCCCCCCCCC(NCCC)c1cnns1.
What is the InChIKey of N-propyl-1-(thiadiazol-5-yl)undecan-1-amine?
The InChIKey is HFDLYHCWSDCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-3-5-6-7-8-9-10-11-12-15(17-13-4-2)16-14-18-19-20-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-propyl-1-(thiadiazol-5-yl)undecan-1-amine?
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine has a molecular weight of 297.51 g/mol, XLogP of 5.11, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiadiazol-5-yl)undecan-1-amine is sourced from PubChem (CID 105138198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).