3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine

C29H62N4O7 — CID 162055094

IUPAC3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine
SMILESCC(C)=NCCCOCCOCCOCCCN=C(C)C.CC(C)=O.NCCCOCCOCCOCCCN
InChIInChI=1S/C16H32N2O3.C10H24N2O3.C3H6O/c1-15(2)17-7-5-9-19-11-13-21-14-12-20-10-6-8-18-16(3)4;11-3-1-5-13-7-9-15-10-8-14-6-2-4-12;1-3(2)4/h5-14H2,1-4H3;1-12H2;1-2H3
InChIKeyYZBLAMSRPSRQCX-UHFFFAOYSA-N
MW578.84 g/mol
LogP3.11
Rot. Bonds26

About 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine

3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine (PubChem CID 162055094) has the molecular formula C29H62N4O7 and a molecular weight of 578.84 g/mol. Its IUPAC name is 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine.

Molecular Properties

Compound Name3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine
PubChem CID162055094
Molecular FormulaC29H62N4O7
Molecular Weight578.84 g/mol
Exact Mass578.46
IUPAC Name3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine
SMILESCC(C)=NCCCOCCOCCOCCCN=C(C)C.CC(C)=O.NCCCOCCOCCOCCCN
InChIInChI=1S/C16H32N2O3.C10H24N2O3.C3H6O/c1-15(2)17-7-5-9-19-11-13-21-14-12-20-10-6-8-18-16(3)4;11-3-1-5-13-7-9-15-10-8-14-6-2-4-12;1-3(2)4/h5-14H2,1-4H3;1-12H2;1-2H3
InChIKeyYZBLAMSRPSRQCX-UHFFFAOYSA-N
XLogP3.11
TPSA149.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine?
The IUPAC name of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine (CID 162055094) is 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine.
What is the SMILES notation for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine?
The canonical SMILES for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine is CC(C)=NCCCOCCOCCOCCCN=C(C)C.CC(C)=O.NCCCOCCOCCOCCCN.
What is the InChIKey of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine?
The InChIKey is YZBLAMSRPSRQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.C10H24N2O3.C3H6O/c1-15(2)17-7-5-9-19-11-13-21-14-12-20-10-6-8-18-16(3)4;11-3-1-5-13-7-9-15-10-8-14-6-2-4-12;1-3(2)4/h5-14H2,1-4H3;1-12H2;1-2H3.
What are the key properties of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine?
3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine has a molecular weight of 578.84 g/mol, XLogP of 3.11, 26 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine;propan-2-one;N-[3-[2-[2-[3-(propan-2-ylideneamino)propoxy]ethoxy]ethoxy]propyl]propan-2-imine is sourced from PubChem (CID 162055094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).