tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate

C17H35N3O3 — CID 103720208

IUPACtert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
SMILESCOCCN(C)CCNC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H35N3O3/c1-17(2,3)23-16(21)19-15-8-6-7-14(13-15)18-9-10-20(4)11-12-22-5/h14-15,18H,6-13H2,1-5H3,(H,19,21)
InChIKeyZRKNUWNUIDWPTC-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.99
Rot. Bonds8

About tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate

tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate (PubChem CID 103720208) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
PubChem CID103720208
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC Nametert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
SMILESCOCCN(C)CCNC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H35N3O3/c1-17(2,3)23-16(21)19-15-8-6-7-14(13-15)18-9-10-20(4)11-12-22-5/h14-15,18H,6-13H2,1-5H3,(H,19,21)
InChIKeyZRKNUWNUIDWPTC-UHFFFAOYSA-N
XLogP1.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate with MolForge

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Related Compounds

methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[3-(2-cyanoethylamino)cyclohexyl]carbamate
CID 79458920
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103720230
tert-butyl N-[4-[2-[ethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 79114724
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174
tert-butyl N-[1-[N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729253
tert-butyl N-[3-[[2-(methylamino)-2-oxoethyl]amino]cyclohexyl]carbamate
CID 79459021
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate (CID 103720208) is tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate is COCCN(C)CCNC1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate?
The InChIKey is ZRKNUWNUIDWPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-17(2,3)23-16(21)19-15-8-6-7-14(13-15)18-9-10-20(4)11-12-22-5/h14-15,18H,6-13H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate?
tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate has a molecular weight of 329.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[2-methoxyethyl(methyl)amino]ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103720208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).