methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate

C15H28N4O2 — CID 64704572

IUPACmethyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
SMILESCCNC(C)(CC(C)N(C)Cc1nccn1C)C(=O)OC
InChIInChI=1S/C15H28N4O2/c1-7-17-15(3,14(20)21-6)10-12(2)19(5)11-13-16-8-9-18(13)4/h8-9,12,17H,7,10-11H2,1-6H3
InChIKeyXITCIRYPYWXNTQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.17
Rot. Bonds8

About methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate

methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate (PubChem CID 64704572) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
PubChem CID64704572
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
SMILESCCNC(C)(CC(C)N(C)Cc1nccn1C)C(=O)OC
InChIInChI=1S/C15H28N4O2/c1-7-17-15(3,14(20)21-6)10-12(2)19(5)11-13-16-8-9-18(13)4/h8-9,12,17H,7,10-11H2,1-6H3
InChIKeyXITCIRYPYWXNTQ-UHFFFAOYSA-N
XLogP1.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 63026829
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
tert-butyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 66338330
methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63025456
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
CID 83054407
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
CID 63026662
1-N-(3-methoxypropyl)-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63024687
methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090257
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate (CID 64704572) is methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate is CCNC(C)(CC(C)N(C)Cc1nccn1C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate?
The InChIKey is XITCIRYPYWXNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-7-17-15(3,14(20)21-6)10-12(2)19(5)11-13-16-8-9-18(13)4/h8-9,12,17H,7,10-11H2,1-6H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate?
methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate has a molecular weight of 296.42 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate is sourced from PubChem (CID 64704572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).