N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine

C25H56N4O4 — CID 140945350

IUPACN-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCC(COCCNC(C)C)(COCCNC(C)C)COCCNC(C)C
InChIInChI=1S/C25H56N4O4/c1-21(2)26-9-13-30-17-25(18-31-14-10-27-22(3)4,19-32-15-11-28-23(5)6)20-33-16-12-29-24(7)8/h21-24,26-29H,9-20H2,1-8H3
InChIKeyAMNLUDQLZVFEJW-UHFFFAOYSA-N
MW476.75 g/mol
LogP2.03
Rot. Bonds24

About N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine

N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine (PubChem CID 140945350) has the molecular formula C25H56N4O4 and a molecular weight of 476.75 g/mol. Its IUPAC name is N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
PubChem CID140945350
Molecular FormulaC25H56N4O4
Molecular Weight476.75 g/mol
Exact Mass476.43
IUPAC NameN-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCC(COCCNC(C)C)(COCCNC(C)C)COCCNC(C)C
InChIInChI=1S/C25H56N4O4/c1-21(2)26-9-13-30-17-25(18-31-14-10-27-22(3)4,19-32-15-11-28-23(5)6)20-33-16-12-29-24(7)8/h21-24,26-29H,9-20H2,1-8H3
InChIKeyAMNLUDQLZVFEJW-UHFFFAOYSA-N
XLogP2.03
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.75
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
N-(2-but-3-ynoxyethyl)propan-2-amine
CID 62342205
N-(2-decoxyethyl)propan-2-amine
CID 63399572
N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
CID 156802607
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine (CID 140945350) is N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine is CC(C)NCCOCC(COCCNC(C)C)(COCCNC(C)C)COCCNC(C)C.
What is the InChIKey of N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine?
The InChIKey is AMNLUDQLZVFEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H56N4O4/c1-21(2)26-9-13-30-17-25(18-31-14-10-27-22(3)4,19-32-15-11-28-23(5)6)20-33-16-12-29-24(7)8/h21-24,26-29H,9-20H2,1-8H3.
What are the key properties of N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine?
N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine has a molecular weight of 476.75 g/mol, XLogP of 2.03, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine is sourced from PubChem (CID 140945350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).