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

C27H56N4 — CID 130421560

IUPACN-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole
SMILESCCCCCCCCCCCCNCCCCCCCCCCCC.Cn1cncn1
InChIInChI=1S/C24H51N.C3H5N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-6-3-4-2-5-6/h25H,3-24H2,1-2H3;2-3H,1H3
InChIKeyRUJFAPMGYSEODV-UHFFFAOYSA-N
MW436.77 g/mol
LogP8.23
Rot. Bonds22

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

N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole (PubChem CID 130421560) has the molecular formula C27H56N4 and a molecular weight of 436.77 g/mol. Its IUPAC name is N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole.

Molecular Properties

Compound NameN-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole
PubChem CID130421560
Molecular FormulaC27H56N4
Molecular Weight436.77 g/mol
Exact Mass436.45
IUPAC NameN-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole
SMILESCCCCCCCCCCCCNCCCCCCCCCCCC.Cn1cncn1
InChIInChI=1S/C24H51N.C3H5N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-6-3-4-2-5-6/h25H,3-24H2,1-2H3;2-3H,1H3
InChIKeyRUJFAPMGYSEODV-UHFFFAOYSA-N
XLogP8.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 58.23
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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Frequently Asked Questions

What is the IUPAC name of N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole?
The IUPAC name of N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole (CID 130421560) is N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole.
What is the SMILES notation for N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole?
The canonical SMILES for N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole is CCCCCCCCCCCCNCCCCCCCCCCCC.Cn1cncn1.
What is the InChIKey of N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole?
The InChIKey is RUJFAPMGYSEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.C3H5N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-6-3-4-2-5-6/h25H,3-24H2,1-2H3;2-3H,1H3.
What are the key properties of N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole?
N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole has a molecular weight of 436.77 g/mol, XLogP of 8.23, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyldodecan-1-amine;1-methyl-1,2,4-triazole is sourced from PubChem (CID 130421560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).