3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine

C10H24N4O — CID 170951585

IUPAC3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
SMILESNCCCOCCN1CCN(CN)CC1
InChIInChI=1S/C10H24N4O/c11-2-1-8-15-9-7-13-3-5-14(10-12)6-4-13/h1-12H2
InChIKeyWNPXSUQIOMDMLB-UHFFFAOYSA-N
MW216.33 g/mol
LogP-1.11
Rot. Bonds7

About 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine

3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine (PubChem CID 170951585) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
PubChem CID170951585
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
SMILESNCCCOCCN1CCN(CN)CC1
InChIInChI=1S/C10H24N4O/c11-2-1-8-15-9-7-13-3-5-14(10-12)6-4-13/h1-12H2
InChIKeyWNPXSUQIOMDMLB-UHFFFAOYSA-N
XLogP-1.11
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052
3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine
CID 155396876
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
CID 79478625

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine?
The IUPAC name of 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine (CID 170951585) is 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine?
The canonical SMILES for 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine is NCCCOCCN1CCN(CN)CC1.
What is the InChIKey of 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine?
The InChIKey is WNPXSUQIOMDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c11-2-1-8-15-9-7-13-3-5-14(10-12)6-4-13/h1-12H2.
What are the key properties of 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine?
3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of -1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine is sourced from PubChem (CID 170951585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).