1-decyl-1,3,5-triazinane

C13H29N3 — CID 158382891

IUPAC1-decyl-1,3,5-triazinane
SMILESCCCCCCCCCCN1CNCNC1
InChIInChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-16-12-14-11-15-13-16/h14-15H,2-13H2,1H3
InChIKeyGVZZUTMBFUQAMO-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.49
Rot. Bonds9

About 1-decyl-1,3,5-triazinane

1-decyl-1,3,5-triazinane (PubChem CID 158382891) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-decyl-1,3,5-triazinane.

Molecular Properties

Compound Name1-decyl-1,3,5-triazinane
PubChem CID158382891
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-decyl-1,3,5-triazinane
SMILESCCCCCCCCCCN1CNCNC1
InChIInChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-16-12-14-11-15-13-16/h14-15H,2-13H2,1H3
InChIKeyGVZZUTMBFUQAMO-UHFFFAOYSA-N
XLogP2.49
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-decyl-1,3,5-triazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tricosylpiperazine
CID 130183651
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
ethane;1-octylpiperazine
CID 144711845
diazanium;1-docosylpiperazine;dibromide
CID 157305429
1-heptylazetidine
CID 134402356
1-decylpiperidine
CID 4649960
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-ethyl-4-undecylpiperazine
CID 21399231

Frequently Asked Questions

What is the IUPAC name of 1-decyl-1,3,5-triazinane?
The IUPAC name of 1-decyl-1,3,5-triazinane (CID 158382891) is 1-decyl-1,3,5-triazinane.
What is the SMILES notation for 1-decyl-1,3,5-triazinane?
The canonical SMILES for 1-decyl-1,3,5-triazinane is CCCCCCCCCCN1CNCNC1.
What is the InChIKey of 1-decyl-1,3,5-triazinane?
The InChIKey is GVZZUTMBFUQAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-16-12-14-11-15-13-16/h14-15H,2-13H2,1H3.
What are the key properties of 1-decyl-1,3,5-triazinane?
1-decyl-1,3,5-triazinane has a molecular weight of 227.40 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-1,3,5-triazinane is sourced from PubChem (CID 158382891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).