N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine

C18H40N2O3 — CID 58903019

IUPACN-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCOCCOCCOCCCNC(C)(C)C
InChIInChI=1S/C18H40N2O3/c1-17(2,3)19-9-7-11-21-13-15-23-16-14-22-12-8-10-20-18(4,5)6/h19-20H,7-16H2,1-6H3
InChIKeyCPBVUFXYGGXUDO-UHFFFAOYSA-N
MW332.53 g/mol
LogP2.59
Rot. Bonds14

About N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine

N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine (PubChem CID 58903019) has the molecular formula C18H40N2O3 and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine
PubChem CID58903019
Molecular FormulaC18H40N2O3
Molecular Weight332.53 g/mol
Exact Mass332.30
IUPAC NameN-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCOCCOCCOCCCNC(C)(C)C
InChIInChI=1S/C18H40N2O3/c1-17(2,3)19-9-7-11-21-13-15-23-16-14-22-12-8-10-20-18(4,5)6/h19-20H,7-16H2,1-6H3
InChIKeyCPBVUFXYGGXUDO-UHFFFAOYSA-N
XLogP2.59
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine (CID 58903019) is N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCOCCOCCOCCCNC(C)(C)C.
What is the InChIKey of N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is CPBVUFXYGGXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O3/c1-17(2,3)19-9-7-11-21-13-15-23-16-14-22-12-8-10-20-18(4,5)6/h19-20H,7-16H2,1-6H3.
What are the key properties of N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine?
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 332.53 g/mol, XLogP of 2.59, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 58903019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).