1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one

C15H32N2O3 — CID 167053489

IUPAC1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one
SMILESCC(C)C(C)(C)C(=O)COCCOCCNC(C)(C)N
InChIInChI=1S/C15H32N2O3/c1-12(2)14(3,4)13(18)11-20-10-9-19-8-7-17-15(5,6)16/h12,17H,7-11,16H2,1-6H3
InChIKeyDZCNGZQCAULXQN-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.56
Rot. Bonds11

About 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one

1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one (PubChem CID 167053489) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one
PubChem CID167053489
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one
SMILESCC(C)C(C)(C)C(=O)COCCOCCNC(C)(C)N
InChIInChI=1S/C15H32N2O3/c1-12(2)14(3,4)13(18)11-20-10-9-19-8-7-17-15(5,6)16/h12,17H,7-11,16H2,1-6H3
InChIKeyDZCNGZQCAULXQN-UHFFFAOYSA-N
XLogP1.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-methyl-3-oxo-4-[2-[2-(3,3,4-trimethyl-2-oxopentoxy)ethoxy]ethylamino]pentyl]pyrrole-2,5-dione
CID 155116665
1-[2-[2-(tert-butylamino)ethoxy]ethoxy]-3-methylbutan-2-one
CID 138460886
3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 155040585
1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 166662752
molecular hydrogen;2,2,3-trimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]butanamide
CID 156820426
2-[[2-methyl-4-[2-[2-[(2-methyl-3-oxopentan-2-yl)amino]ethoxy]ethoxy]-3-oxobutan-2-yl]amino]acetamide
CID 143937201
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
3-ethyl-3-methyl-1-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethoxy]hexan-2-one
CID 91440027
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one?
The IUPAC name of 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one (CID 167053489) is 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one.
What is the SMILES notation for 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one?
The canonical SMILES for 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one is CC(C)C(C)(C)C(=O)COCCOCCNC(C)(C)N.
What is the InChIKey of 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one?
The InChIKey is DZCNGZQCAULXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-12(2)14(3,4)13(18)11-20-10-9-19-8-7-17-15(5,6)16/h12,17H,7-11,16H2,1-6H3.
What are the key properties of 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one?
1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one has a molecular weight of 288.43 g/mol, XLogP of 1.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]-3,3,4-trimethylpentan-2-one is sourced from PubChem (CID 167053489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).