N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine

C12H24N4O2 — CID 114222854

IUPACN-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
SMILESCCCn1nncc1NCCCCOCCOC
InChIInChI=1S/C12H24N4O2/c1-3-7-16-12(11-14-15-16)13-6-4-5-8-18-10-9-17-2/h11,13H,3-10H2,1-2H3
InChIKeyJWFOISNBFSKMGJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.54
Rot. Bonds11

About N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine

N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine (PubChem CID 114222854) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
PubChem CID114222854
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
SMILESCCCn1nncc1NCCCCOCCOC
InChIInChI=1S/C12H24N4O2/c1-3-7-16-12(11-14-15-16)13-6-4-5-8-18-10-9-17-2/h11,13H,3-10H2,1-2H3
InChIKeyJWFOISNBFSKMGJ-UHFFFAOYSA-N
XLogP1.54
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126
N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114222797
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine
CID 114222902
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
CID 114222846
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
CID 114223433
N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
CID 114476158
N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
CID 115735418
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine (CID 114222854) is N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine is CCCn1nncc1NCCCCOCCOC.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine?
The InChIKey is JWFOISNBFSKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-7-16-12(11-14-15-16)13-6-4-5-8-18-10-9-17-2/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine?
N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine has a molecular weight of 256.35 g/mol, XLogP of 1.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine is sourced from PubChem (CID 114222854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).