1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium

C15H38N3O3+3 — CID 20820354

IUPAC1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium
SMILESCCC(COCC(C)[NH3+])(COCC(C)[NH3+])COCC(C)[NH3+]
InChIInChI=1S/C15H35N3O3/c1-5-15(9-19-6-12(2)16,10-20-7-13(3)17)11-21-8-14(4)18/h12-14H,5-11,16-18H2,1-4H3/p+3
InChIKeyDXTYRJPTZQZODB-UHFFFAOYSA-Q
MW308.49 g/mol
LogP-1.68
Rot. Bonds13

About 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium

1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium (PubChem CID 20820354) has the molecular formula C15H38N3O3+3 and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium.

Molecular Properties

Compound Name1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium
PubChem CID20820354
Molecular FormulaC15H38N3O3+3
Molecular Weight308.49 g/mol
Exact Mass308.29
IUPAC Name1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium
SMILESCCC(COCC(C)[NH3+])(COCC(C)[NH3+])COCC(C)[NH3+]
InChIInChI=1S/C15H35N3O3/c1-5-15(9-19-6-12(2)16,10-20-7-13(3)17)11-21-8-14(4)18/h12-14H,5-11,16-18H2,1-4H3/p+3
InChIKeyDXTYRJPTZQZODB-UHFFFAOYSA-Q
XLogP-1.68
TPSA110.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,2-Bis(2-methylpropoxymethyl)butoxy]propan-2-amine
CID 154824843
(2S)-1-methoxy-3,3-dimethylbutan-2-amine
CID 12839821
3-[2,2-Bis(3-aminopropoxymethyl)butoxy]propan-1-amine
CID 11301200
1-Methoxy-3,3-dimethylbutan-2-amine
CID 12839820
(2R)-1-methoxy-3,3-dimethylbutan-2-amine
CID 12839822
1-Ethoxy-3,3-dimethylbutan-2-amine
CID 16788187
1-[2,2-Bis(2-aminopropoxymethyl)butoxy]propan-2-amine
CID 20820355
2-(3,3-Dimethylbutoxy)-1-ethanamine
CID 26188613
(2R)-3,3-dimethyl-1-propan-2-yloxybutan-2-amine
CID 28157215
(2S)-1-tert-Butoxy-3,3-dimethylbutan-2-amine
CID 28998269
(2S)-1-ethoxy-3,3-dimethylbutan-2-amine
CID 30816946
(2R)-1-ethoxy-3,3-dimethylbutan-2-amine
CID 30816949

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium?
The IUPAC name of 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium (CID 20820354) is 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium.
What is the SMILES notation for 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium?
The canonical SMILES for 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium is CCC(COCC(C)[NH3+])(COCC(C)[NH3+])COCC(C)[NH3+].
What is the InChIKey of 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium?
The InChIKey is DXTYRJPTZQZODB-UHFFFAOYSA-Q. The full InChI is InChI=1S/C15H35N3O3/c1-5-15(9-19-6-12(2)16,10-20-7-13(3)17)11-21-8-14(4)18/h12-14H,5-11,16-18H2,1-4H3/p+3.
What are the key properties of 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium?
1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium has a molecular weight of 308.49 g/mol, XLogP of -1.68, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(2-azaniumylpropoxymethyl)butoxy]propan-2-ylazanium is sourced from PubChem (CID 20820354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).