N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine

C14H28N4 — CID 65360398

IUPACN-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1ncn[nH]1
InChIInChI=1S/C14H28N4/c1-3-5-6-7-8-9-10-11-13(15-4-2)14-16-12-17-18-14/h12-13,15H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyQZHLLKSQLNFUBT-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.60
Rot. Bonds11

About N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine

N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine (PubChem CID 65360398) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine
PubChem CID65360398
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1ncn[nH]1
InChIInChI=1S/C14H28N4/c1-3-5-6-7-8-9-10-11-13(15-4-2)14-16-12-17-18-14/h12-13,15H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyQZHLLKSQLNFUBT-UHFFFAOYSA-N
XLogP3.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.60
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

5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65360783
1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
CID 65362645
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65360079
1-(1H-1,2,4-triazol-5-yl)pentylurea
CID 175608881
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
5-(3-ethylheptan-2-yl)-1H-1,2,4-triazole
CID 160535592
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine
CID 114078531

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine?
The IUPAC name of N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine (CID 65360398) is N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine.
What is the SMILES notation for N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine?
The canonical SMILES for N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine is CCCCCCCCCC(NCC)c1ncn[nH]1.
What is the InChIKey of N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine?
The InChIKey is QZHLLKSQLNFUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-3-5-6-7-8-9-10-11-13(15-4-2)14-16-12-17-18-14/h12-13,15H,3-11H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine?
N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.60, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine is sourced from PubChem (CID 65360398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).