N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine

C12H24N4 — CID 82931017

IUPACN-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CC(CC)CC)nn1
InChIInChI=1S/C12H24N4/c1-4-7-13-8-12-10-16(15-14-12)9-11(5-2)6-3/h10-11,13H,4-9H2,1-3H3
InChIKeyDNZZXNFORYJXSL-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.21
Rot. Bonds8

About N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine

N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 82931017) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
PubChem CID82931017
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CC(CC)CC)nn1
InChIInChI=1S/C12H24N4/c1-4-7-13-8-12-10-16(15-14-12)9-11(5-2)6-3/h10-11,13H,4-9H2,1-3H3
InChIKeyDNZZXNFORYJXSL-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.21
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

N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
CID 66193513
1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 66191790
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
CID 82929775
1-butoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 107264375
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine
CID 66193381
4-(2-bromoethyl)-1-(2-ethylbutyl)triazole
CID 82930539
N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191986
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62440961
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191789

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine (CID 82931017) is N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CC(CC)CC)nn1.
What is the InChIKey of N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is DNZZXNFORYJXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-7-13-8-12-10-16(15-14-12)9-11(5-2)6-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine?
N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 82931017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).