1-methyl-5-pentyltriazolidine

C8H19N3 — CID 146594066

IUPAC1-methyl-5-pentyltriazolidine
SMILESCCCCCC1CNNN1C
InChIInChI=1S/C8H19N3/c1-3-4-5-6-8-7-9-10-11(8)2/h8-10H,3-7H2,1-2H3
InChIKeyIZGWINGXGZBZKM-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.89
Rot. Bonds4

About 1-methyl-5-pentyltriazolidine

1-methyl-5-pentyltriazolidine (PubChem CID 146594066) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-methyl-5-pentyltriazolidine.

Molecular Properties

Compound Name1-methyl-5-pentyltriazolidine
PubChem CID146594066
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1-methyl-5-pentyltriazolidine
SMILESCCCCCC1CNNN1C
InChIInChI=1S/C8H19N3/c1-3-4-5-6-8-7-9-10-11(8)2/h8-10H,3-7H2,1-2H3
InChIKeyIZGWINGXGZBZKM-UHFFFAOYSA-N
XLogP0.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-pentylpyrrolidine-2-thione
CID 14765438
2-pentylaziridine
CID 19101061
2-pentyl-1,4-diazabicyclo[2.2.2]octane
CID 66810184
1-methyl-2-tetradecylpyrrolidine
CID 24796983
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444
1-methyl-4-nonylazetidin-2-one
CID 70542920
3-hexylazetidine
CID 79452100
2-decylaziridine-1-carboxamide
CID 175486597
1,5-dipentyl-4,5-dihydrotriazole
CID 67937097
icosane;phosphane;hydrobromide
CID 172836983
4-ethyl-2-heptyl-1,6-dimethylpiperidine
CID 22754520
3-methyl-4-pentyl-1,3-thiazolidin-2-one
CID 59738209

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pentyltriazolidine?
The IUPAC name of 1-methyl-5-pentyltriazolidine (CID 146594066) is 1-methyl-5-pentyltriazolidine.
What is the SMILES notation for 1-methyl-5-pentyltriazolidine?
The canonical SMILES for 1-methyl-5-pentyltriazolidine is CCCCCC1CNNN1C.
What is the InChIKey of 1-methyl-5-pentyltriazolidine?
The InChIKey is IZGWINGXGZBZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-3-4-5-6-8-7-9-10-11(8)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-methyl-5-pentyltriazolidine?
1-methyl-5-pentyltriazolidine has a molecular weight of 157.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pentyltriazolidine is sourced from PubChem (CID 146594066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).