(Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane

C17H34N4O2 — CID 144881991

IUPAC(Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane
SMILESCC.CC1(C)CCC(N(N)/C=C(\N)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H28N4O2.C2H6/c1-15(2)5-3-12(4-6-15)19(17)11-13(16)14(20)18-7-9-21-10-8-18;1-2/h11-12H,3-10,16-17H2,1-2H3;1-2H3/b13-11-;
InChIKeyVARKLIKWRFENNW-KEHAOADBSA-N
MW326.49 g/mol
LogP1.82
Rot. Bonds3

About (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane

(Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane (PubChem CID 144881991) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane
PubChem CID144881991
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name(Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane
SMILESCC.CC1(C)CCC(N(N)/C=C(\N)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H28N4O2.C2H6/c1-15(2)5-3-12(4-6-15)19(17)11-13(16)14(20)18-7-9-21-10-8-18;1-2/h11-12H,3-10,16-17H2,1-2H3;1-2H3/b13-11-;
InChIKeyVARKLIKWRFENNW-KEHAOADBSA-N
XLogP1.82
TPSA84.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-morpholin-4-ylbut-2-enamide
CID 70579814
(Z)-2-[amino(oxan-4-yl)amino]-1-cyclopropylethenamine
CID 145289889
(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
CID 113246114
[1-(3,3-dimethylcyclopentyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 154564551
1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
CID 108509743
1-cyclopropyl-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)guanidine;hydroiodide
CID 110031903
(Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine
CID 145317201
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63124377
(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
CID 82767352
morpholin-4-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 3747462
1-cyclohexyl-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
CID 67489629

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane?
The IUPAC name of (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane (CID 144881991) is (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane.
What is the SMILES notation for (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane?
The canonical SMILES for (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane is CC.CC1(C)CCC(N(N)/C=C(\N)C(=O)N2CCOCC2)CC1.
What is the InChIKey of (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane?
The InChIKey is VARKLIKWRFENNW-KEHAOADBSA-N. The full InChI is InChI=1S/C15H28N4O2.C2H6/c1-15(2)5-3-12(4-6-15)19(17)11-13(16)14(20)18-7-9-21-10-8-18;1-2/h11-12H,3-10,16-17H2,1-2H3;1-2H3/b13-11-;.
What are the key properties of (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane?
(Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane has a molecular weight of 326.49 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-(4,4-dimethylcyclohexyl)amino]-1-morpholin-4-ylprop-2-en-1-one;ethane is sourced from PubChem (CID 144881991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).