N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine

C18H40N4O2 — CID 148766148

IUPACN-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCCNCCOCCN1CCN(CCOCCNCC(C)C)CC1
InChIInChI=1S/C18H40N4O2/c1-4-19-5-13-23-15-11-21-7-9-22(10-8-21)12-16-24-14-6-20-17-18(2)3/h18-20H,4-17H2,1-3H3
InChIKeyOHMXXJHADMTXNB-UHFFFAOYSA-N
MW344.54 g/mol
LogP0.49
Rot. Bonds15

About N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 148766148) has the molecular formula C18H40N4O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID148766148
Molecular FormulaC18H40N4O2
Molecular Weight344.54 g/mol
Exact Mass344.32
IUPAC NameN-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCCNCCOCCN1CCN(CCOCCNCC(C)C)CC1
InChIInChI=1S/C18H40N4O2/c1-4-19-5-13-23-15-11-21-7-9-22(10-8-21)12-16-24-14-6-20-17-18(2)3/h18-20H,4-17H2,1-3H3
InChIKeyOHMXXJHADMTXNB-UHFFFAOYSA-N
XLogP0.49
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine (CID 148766148) is N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine is CCNCCOCCN1CCN(CCOCCNCC(C)C)CC1.
What is the InChIKey of N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is OHMXXJHADMTXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O2/c1-4-19-5-13-23-15-11-21-7-9-22(10-8-21)12-16-24-14-6-20-17-18(2)3/h18-20H,4-17H2,1-3H3.
What are the key properties of N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 344.54 g/mol, XLogP of 0.49, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 148766148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).