methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate

C14H24N4O2 — CID 79651560

IUPACmethyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(N(C)Cc2nccn2C)C1
InChIInChI=1S/C14H24N4O2/c1-15-14(13(19)20-4)6-5-11(9-14)18(3)10-12-16-7-8-17(12)2/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyIKUGTXFHRGFHGO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.54
Rot. Bonds5

About methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate

methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate (PubChem CID 79651560) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate
PubChem CID79651560
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(N(C)Cc2nccn2C)C1
InChIInChI=1S/C14H24N4O2/c1-15-14(13(19)20-4)6-5-11(9-14)18(3)10-12-16-7-8-17(12)2/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyIKUGTXFHRGFHGO-UHFFFAOYSA-N
XLogP0.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[cyclohexylmethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79650899
1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639172
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645914
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
CID 79643169
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate
CID 79651528
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 102655899
methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743325
methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654095

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate (CID 79651560) is methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(N(C)Cc2nccn2C)C1.
What is the InChIKey of methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate?
The InChIKey is IKUGTXFHRGFHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-15-14(13(19)20-4)6-5-11(9-14)18(3)10-12-16-7-8-17(12)2/h7-8,11,15H,5-6,9-10H2,1-4H3.
What are the key properties of methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate?
methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79651560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).