N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine

C12H28N2O2 — CID 10988139

IUPACN-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCNC(C)C
InChIInChI=1S/C12H28N2O2/c1-11(2)13-5-7-15-9-10-16-8-6-14-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyOXLRHYVCQQKZRQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.02
Rot. Bonds11

About N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine

N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine (PubChem CID 10988139) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine
PubChem CID10988139
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCNC(C)C
InChIInChI=1S/C12H28N2O2/c1-11(2)13-5-7-15-9-10-16-8-6-14-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyOXLRHYVCQQKZRQ-UHFFFAOYSA-N
XLogP1.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 123435
CID 123435
CID 72805
CID 72805
CID 67522
CID 67522
CID 4212960
CID 4212960
CID 118578
CID 118578
CID 544820
CID 544820
CID 545817
CID 545817
CID 469935
CID 469935
CID 90322
CID 90322
CID 547396
CID 547396
CID 91958
CID 91958
CID 86260607
CID 86260607

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine (CID 10988139) is N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOCCNC(C)C.
What is the InChIKey of N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is OXLRHYVCQQKZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-11(2)13-5-7-15-9-10-16-8-6-14-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine?
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 1.02, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 10988139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).