ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate

C16H32N2O2 — CID 79636878

IUPACethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCCCN(C)C1CCCC(NCC)(C(=O)OCC)C1
InChIInChI=1S/C16H32N2O2/c1-5-8-12-18(4)14-10-9-11-16(13-14,17-6-2)15(19)20-7-3/h14,17H,5-13H2,1-4H3
InChIKeyYNNOCSMFQDNGRV-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.57
Rot. Bonds8

About ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate

ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate (PubChem CID 79636878) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
PubChem CID79636878
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCCCN(C)C1CCCC(NCC)(C(=O)OCC)C1
InChIInChI=1S/C16H32N2O2/c1-5-8-12-18(4)14-10-9-11-16(13-14,17-6-2)15(19)20-7-3/h14,17H,5-13H2,1-4H3
InChIKeyYNNOCSMFQDNGRV-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138
methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 79642096
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79626619
methyl 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxylate
CID 79636650
methyl 1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylate
CID 81044395
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79636441
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641939

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate (CID 79636878) is ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate is CCCCN(C)C1CCCC(NCC)(C(=O)OCC)C1.
What is the InChIKey of ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
The InChIKey is YNNOCSMFQDNGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-8-12-18(4)14-10-9-11-16(13-14,17-6-2)15(19)20-7-3/h14,17H,5-13H2,1-4H3.
What are the key properties of ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate?
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79636878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).