methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate

C17H32N2O2 — CID 79626185

IUPACmethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)10-6-7-15(11-17)19(12-13(2)3)14-8-9-14/h13-15,18H,5-12H2,1-4H3
InChIKeyVKZXDMWBSPJNGY-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds7

About methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate

methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate (PubChem CID 79626185) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
PubChem CID79626185
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(CC(C)C)C2CC2)C1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)10-6-7-15(11-17)19(12-13(2)3)14-8-9-14/h13-15,18H,5-12H2,1-4H3
InChIKeyVKZXDMWBSPJNGY-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646666
methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 79642096
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
methyl 1-(ethylamino)-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylate
CID 79636984
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79626619
methyl 1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylate
CID 81044395
methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79655587
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate (CID 79626185) is methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(N(CC(C)C)C2CC2)C1.
What is the InChIKey of methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The InChIKey is VKZXDMWBSPJNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)10-6-7-15(11-17)19(12-13(2)3)14-8-9-14/h13-15,18H,5-12H2,1-4H3.
What are the key properties of methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79626185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).