N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine

C11H19N3S — CID 107011981

IUPACN-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1cnns1
InChIInChI=1S/C11H19N3S/c1-3-4-5-6-7-8-10(12-2)11-9-13-14-15-11/h3,9-10,12H,1,4-8H2,2H3
InChIKeyDAENEFKYHPPLIP-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.94
Rot. Bonds8

About N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine

N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine (PubChem CID 107011981) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
PubChem CID107011981
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1cnns1
InChIInChI=1S/C11H19N3S/c1-3-4-5-6-7-8-10(12-2)11-9-13-14-15-11/h3,9-10,12H,1,4-8H2,2H3
InChIKeyDAENEFKYHPPLIP-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492
N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine
CID 105153420
N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105113544
N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine
CID 105149257
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198
1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009639
1-(5-fluoro-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009456
N-methyl-1-(6-methyl-3-pyridinyl)oct-7-en-1-amine
CID 107011868
N-ethyl-1-(thiadiazol-5-yl)hexan-1-amine
CID 105129677
1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009654
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509
1-(4,6-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 114269406

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine?
The IUPAC name of N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine (CID 107011981) is N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine.
What is the SMILES notation for N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine?
The canonical SMILES for N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine is C=CCCCCCC(NC)c1cnns1.
What is the InChIKey of N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine?
The InChIKey is DAENEFKYHPPLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-4-5-6-7-8-10(12-2)11-9-13-14-15-11/h3,9-10,12H,1,4-8H2,2H3.
What are the key properties of N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine?
N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine is sourced from PubChem (CID 107011981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).