N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate

C36H72N8O6 — CID 161291088

IUPACN-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N)CC1.CN(C)CC(=O)NC1CCC(N)CC1.CN(C)CC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3.C11H22N2O2.C10H21N3O/c1-15(2,3)21-14(20)17-12-8-6-11(7-9-12)16-13(19)10-18(4)5;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-13(2)7-10(14)12-9-5-3-8(11)4-6-9/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20);8-9H,4-7,12H2,1-3H3,(H,13,14);8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyVGIVENGXHFPYFU-UHFFFAOYSA-N
MW713.02 g/mol
LogP3.22
Rot. Bonds8

About N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate

N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate (PubChem CID 161291088) has the molecular formula C36H72N8O6 and a molecular weight of 713.02 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
PubChem CID161291088
Molecular FormulaC36H72N8O6
Molecular Weight713.02 g/mol
Exact Mass712.56
IUPAC NameN-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N)CC1.CN(C)CC(=O)NC1CCC(N)CC1.CN(C)CC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3.C11H22N2O2.C10H21N3O/c1-15(2,3)21-14(20)17-12-8-6-11(7-9-12)16-13(19)10-18(4)5;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-13(2)7-10(14)12-9-5-3-8(11)4-6-9/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20);8-9H,4-7,12H2,1-3H3,(H,13,14);8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyVGIVENGXHFPYFU-UHFFFAOYSA-N
XLogP3.22
TPSA193.38 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.02
LogP ≤ 53.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;dihydrochloride
CID 86277381
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
CID 159889394
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;tert-butyl N-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydrate
CID 160778406
4-aminocyclohexan-1-ol;tert-butyl N-(4-hydroxycyclohexyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 160880979
tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
CID 163374886
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate?
The IUPAC name of N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate (CID 161291088) is N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(N)CC1.CN(C)CC(=O)NC1CCC(N)CC1.CN(C)CC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate?
The InChIKey is VGIVENGXHFPYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3.C11H22N2O2.C10H21N3O/c1-15(2,3)21-14(20)17-12-8-6-11(7-9-12)16-13(19)10-18(4)5;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-13(2)7-10(14)12-9-5-3-8(11)4-6-9/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20);8-9H,4-7,12H2,1-3H3,(H,13,14);8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate?
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate has a molecular weight of 713.02 g/mol, XLogP of 3.22, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 161291088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).