ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate

C16H35N3O2 — CID 103190949

IUPACethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(CN(CC)C(C)CN(C)C)NC(C)C
InChIInChI=1S/C16H35N3O2/c1-9-19(14(5)11-18(7)8)12-16(6,17-13(3)4)15(20)21-10-2/h13-14,17H,9-12H2,1-8H3
InChIKeyBWKMCCBGIQXDJC-UHFFFAOYSA-N
MW301.48 g/mol
LogP1.58
Rot. Bonds10

About ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate

ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate (PubChem CID 103190949) has the molecular formula C16H35N3O2 and a molecular weight of 301.48 g/mol. Its IUPAC name is ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate
PubChem CID103190949
Molecular FormulaC16H35N3O2
Molecular Weight301.48 g/mol
Exact Mass301.27
IUPAC Nameethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(CN(CC)C(C)CN(C)C)NC(C)C
InChIInChI=1S/C16H35N3O2/c1-9-19(14(5)11-18(7)8)12-16(6,17-13(3)4)15(20)21-10-2/h13-14,17H,9-12H2,1-8H3
InChIKeyBWKMCCBGIQXDJC-UHFFFAOYSA-N
XLogP1.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710599
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid
CID 103190936
ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 81044614
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
4-(diethylamino)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64726179
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
CID 102983984
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate (CID 103190949) is ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate is CCOC(=O)C(C)(CN(CC)C(C)CN(C)C)NC(C)C.
What is the InChIKey of ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate?
The InChIKey is BWKMCCBGIQXDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2/c1-9-19(14(5)11-18(7)8)12-16(6,17-13(3)4)15(20)21-10-2/h13-14,17H,9-12H2,1-8H3.
What are the key properties of ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate?
ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate has a molecular weight of 301.48 g/mol, XLogP of 1.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 103190949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).