4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine

C22H48N2O3 — CID 18338937

IUPAC4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine
SMILESCC(C)CC(C)NCCCOCCOCCOCCCNC(C)CC(C)C
InChIInChI=1S/C22H48N2O3/c1-19(2)17-21(5)23-9-7-11-25-13-15-27-16-14-26-12-8-10-24-22(6)18-20(3)4/h19-24H,7-18H2,1-6H3
InChIKeyIFDNGNQQBASEST-UHFFFAOYSA-N
MW388.64 g/mol
LogP3.86
Rot. Bonds20

About 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine

4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine (PubChem CID 18338937) has the molecular formula C22H48N2O3 and a molecular weight of 388.64 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine
PubChem CID18338937
Molecular FormulaC22H48N2O3
Molecular Weight388.64 g/mol
Exact Mass388.37
IUPAC Name4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine
SMILESCC(C)CC(C)NCCCOCCOCCOCCCNC(C)CC(C)C
InChIInChI=1S/C22H48N2O3/c1-19(2)17-21(5)23-9-7-11-25-13-15-27-16-14-26-12-8-10-24-22(6)18-20(3)4/h19-24H,7-18H2,1-6H3
InChIKeyIFDNGNQQBASEST-UHFFFAOYSA-N
XLogP3.86
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 53.86
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

4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine
CID 18338936
4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine
CID 18338938
4-methyl-N-[3-(2-methylpropoxy)propyl]pentan-2-amine
CID 21355570
(2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine
CID 28722014
(3-Methoxypropyl)(4-methylpentan-2-yl)amine
CID 43205050
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine
CID 58903019
3-[2-(3-methylbutoxy)ethoxy]-N-propan-2-ylpropan-1-amine
CID 62343207
N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(4-methylpentan-2-amine)
CID 86720847
N-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylbutan-2-amine
CID 129263537
2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine
CID 135279262
4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine
CID 135299905
N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine
CID 137398646

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine (CID 18338937) is 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine is CC(C)CC(C)NCCCOCCOCCOCCCNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine?
The InChIKey is IFDNGNQQBASEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O3/c1-19(2)17-21(5)23-9-7-11-25-13-15-27-16-14-26-12-8-10-24-22(6)18-20(3)4/h19-24H,7-18H2,1-6H3.
What are the key properties of 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine?
4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine has a molecular weight of 388.64 g/mol, XLogP of 3.86, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine is sourced from PubChem (CID 18338937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).