N-decyldecan-1-amine;1-methyl-1,2,4-triazole

C23H48N4 — CID 130421565

IUPACN-decyldecan-1-amine;1-methyl-1,2,4-triazole
SMILESCCCCCCCCCCNCCCCCCCCCC.Cn1cncn1
InChIInChI=1S/C20H43N.C3H5N3/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-6-3-4-2-5-6/h21H,3-20H2,1-2H3;2-3H,1H3
InChIKeyYUDKZSNJVNIGGK-UHFFFAOYSA-N
MW380.67 g/mol
LogP6.67
Rot. Bonds18

About N-decyldecan-1-amine;1-methyl-1,2,4-triazole

N-decyldecan-1-amine;1-methyl-1,2,4-triazole (PubChem CID 130421565) has the molecular formula C23H48N4 and a molecular weight of 380.67 g/mol. Its IUPAC name is N-decyldecan-1-amine;1-methyl-1,2,4-triazole.

Molecular Properties

Compound NameN-decyldecan-1-amine;1-methyl-1,2,4-triazole
PubChem CID130421565
Molecular FormulaC23H48N4
Molecular Weight380.67 g/mol
Exact Mass380.39
IUPAC NameN-decyldecan-1-amine;1-methyl-1,2,4-triazole
SMILESCCCCCCCCCCNCCCCCCCCCC.Cn1cncn1
InChIInChI=1S/C20H43N.C3H5N3/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-6-3-4-2-5-6/h21H,3-20H2,1-2H3;2-3H,1H3
InChIKeyYUDKZSNJVNIGGK-UHFFFAOYSA-N
XLogP6.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.67
LogP ≤ 56.67
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

3-amino-N-octadecyl-1,2,4-triazole-1-carboxamide
CID 137649591
1-Octadecyl-1H-1,2,4-triazole
CID 23344158
N-decyl-3-amino-1,2,4-triazole
CID 62222047
4-Amino-5-tetradecylamino-4H-1,2,4-triazol-1-ium chloride
CID 139049319
1-Hexadecyl-1,2,4-triazole
CID 4118666
3-Amino-1-undecyl-1,2,4-triazole
CID 10537926
3-Amino-2-undecyl-1,2,4-triazole
CID 10610009
1,2,4-Triazol-1-ylmethyldi-n-octylamine
CID 13325760
10-(1,2,4-Triazol-1-yl)decan-1-amine
CID 19742667
2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole
CID 19771426
N,N'-bis(2-ethylhexyl)-1-(1,2,4-triazol-1-yl)methanediamine
CID 21282358
N-[bis(1,2,4-triazol-1-yl)methyl]dodecan-1-amine
CID 23314140

Frequently Asked Questions

What is the IUPAC name of N-decyldecan-1-amine;1-methyl-1,2,4-triazole?
The IUPAC name of N-decyldecan-1-amine;1-methyl-1,2,4-triazole (CID 130421565) is N-decyldecan-1-amine;1-methyl-1,2,4-triazole.
What is the SMILES notation for N-decyldecan-1-amine;1-methyl-1,2,4-triazole?
The canonical SMILES for N-decyldecan-1-amine;1-methyl-1,2,4-triazole is CCCCCCCCCCNCCCCCCCCCC.Cn1cncn1.
What is the InChIKey of N-decyldecan-1-amine;1-methyl-1,2,4-triazole?
The InChIKey is YUDKZSNJVNIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N.C3H5N3/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-6-3-4-2-5-6/h21H,3-20H2,1-2H3;2-3H,1H3.
What are the key properties of N-decyldecan-1-amine;1-methyl-1,2,4-triazole?
N-decyldecan-1-amine;1-methyl-1,2,4-triazole has a molecular weight of 380.67 g/mol, XLogP of 6.67, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyldecan-1-amine;1-methyl-1,2,4-triazole is sourced from PubChem (CID 130421565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).