2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

C20H43N3O3 — CID 169019370

IUPAC2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCC(C)N1CCN(CCOCCOCCOCCNCC(C)(C)C)CC1
InChIInChI=1S/C20H43N3O3/c1-19(2)23-9-7-22(8-10-23)11-13-25-15-17-26-16-14-24-12-6-21-18-20(3,4)5/h19,21H,6-18H2,1-5H3
InChIKeyPVDWUAZMBFFWCD-UHFFFAOYSA-N
MW373.58 g/mol
LogP1.70
Rot. Bonds14

About 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 169019370) has the molecular formula C20H43N3O3 and a molecular weight of 373.58 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID169019370
Molecular FormulaC20H43N3O3
Molecular Weight373.58 g/mol
Exact Mass373.33
IUPAC Name2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCC(C)N1CCN(CCOCCOCCOCCNCC(C)(C)C)CC1
InChIInChI=1S/C20H43N3O3/c1-19(2)23-9-7-22(8-10-23)11-13-25-15-17-26-16-14-24-12-6-21-18-20(3,4)5/h19,21H,6-18H2,1-5H3
InChIKeyPVDWUAZMBFFWCD-UHFFFAOYSA-N
XLogP1.70
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 51.70
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-(methylsulfanylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanamine
CID 138727284
3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
CID 164535761
N-(2-methoxyethyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 55087286
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148587851
N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 167191561
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
CID 138727338
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane
CID 161041483

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (CID 169019370) is 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is CC(C)N1CCN(CCOCCOCCOCCNCC(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is PVDWUAZMBFFWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N3O3/c1-19(2)23-9-7-22(8-10-23)11-13-25-15-17-26-16-14-24-12-6-21-18-20(3,4)5/h19,21H,6-18H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 373.58 g/mol, XLogP of 1.70, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 169019370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).