methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate

C15H29N3O2 — CID 81474390

IUPACmethyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(N2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C15H29N3O2/c1-11-9-18(10-13(11)17(2)3)12-6-5-7-15(16,8-12)14(19)20-4/h11-13H,5-10,16H2,1-4H3
InChIKeyGFZQQOHBRNSXIJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.68
Rot. Bonds3

About methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate

methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate (PubChem CID 81474390) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate
PubChem CID81474390
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Namemethyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(N2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C15H29N3O2/c1-11-9-18(10-13(11)17(2)3)12-6-5-7-15(16,8-12)14(19)20-4/h11-13H,5-10,16H2,1-4H3
InChIKeyGFZQQOHBRNSXIJ-UHFFFAOYSA-N
XLogP0.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 79641971
methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate
CID 79636666
methyl 1-amino-3-(4-tert-butylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79627839
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
methyl 1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carboxylate
CID 79633959
(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465581
1-amino-3-[3-(dimethylamino)piperidin-1-yl]cyclohexane-1-carboxamide
CID 79641518
methyl 1-amino-3-(2-methylimidazol-1-yl)cyclohexane-1-carboxylate
CID 79641864
3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641394
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
CID 176940576
methyl 1-amino-3-imidazol-1-ylcyclohexane-1-carboxylate
CID 79641731

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate (CID 81474390) is methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate is COC(=O)C1(N)CCCC(N2CC(C)C(N(C)C)C2)C1.
What is the InChIKey of methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate?
The InChIKey is GFZQQOHBRNSXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11-9-18(10-13(11)17(2)3)12-6-5-7-15(16,8-12)14(19)20-4/h11-13H,5-10,16H2,1-4H3.
What are the key properties of methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate?
methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 81474390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).