methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate

C16H30N2O3 — CID 79626176

IUPACmethyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
SMILESCOCC(C)N(C)C1CCCC(NC2CC2)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O3/c1-12(11-20-3)18(2)14-6-5-9-16(10-14,15(19)21-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3
InChIKeyHLAHXNPQCPROBG-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds7

About methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate

methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate (PubChem CID 79626176) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
PubChem CID79626176
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
SMILESCOCC(C)N(C)C1CCCC(NC2CC2)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O3/c1-12(11-20-3)18(2)14-6-5-9-16(10-14,15(19)21-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3
InChIKeyHLAHXNPQCPROBG-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
methyl 1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636681
3-[butan-2-yl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxylic acid
CID 79636593
ethyl 1-(cyclopropylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636428
methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79646396
[1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentyl]methanol
CID 79655891
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate
CID 79650666
methyl 3-(dimethylamino)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79637045
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79626494
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate (CID 79626176) is methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate is COCC(C)N(C)C1CCCC(NC2CC2)(C(=O)OC)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate?
The InChIKey is HLAHXNPQCPROBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(11-20-3)18(2)14-6-5-9-16(10-14,15(19)21-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 79626176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).