N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine

C14H28N6 — CID 114688546

IUPACN-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1CN(C)CCN1C
InChIInChI=1S/C14H28N6/c1-5-7-20-12(10-16-17-20)14(15-6-2)13-11-18(3)8-9-19(13)4/h10,13-15H,5-9,11H2,1-4H3
InChIKeyZOWXRZYZWSWIOK-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.58
Rot. Bonds6

About N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine

N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 114688546) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID114688546
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1CN(C)CCN1C
InChIInChI=1S/C14H28N6/c1-5-7-20-12(10-16-17-20)14(15-6-2)13-11-18(3)8-9-19(13)4/h10,13-15H,5-9,11H2,1-4H3
InChIKeyZOWXRZYZWSWIOK-UHFFFAOYSA-N
XLogP0.58
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 79658937
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442
N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 106445341
N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688139
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
N-[(3-propyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688770
N-[(5-bromo-3-methyltriazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106462720
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (CID 114688546) is N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)C1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is ZOWXRZYZWSWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-5-7-20-12(10-16-17-20)14(15-6-2)13-11-18(3)8-9-19(13)4/h10,13-15H,5-9,11H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114688546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).