(Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide

C18H29N3O — CID 108833030

IUPAC(Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide
SMILESCC(C)CNC(=O)/C(C#N)=C\N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C18H29N3O/c1-13(2)9-20-16(22)14(8-19)10-21-12-18(5)7-15(21)6-17(3,4)11-18/h10,13,15H,6-7,9,11-12H2,1-5H3,(H,20,22)/b14-10-
InChIKeyIFQPQNYKLLTILA-UVTDQMKNSA-N
MW303.45 g/mol
LogP3.07
Rot. Bonds4

About (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide

(Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide (PubChem CID 108833030) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide
PubChem CID108833030
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide
SMILESCC(C)CNC(=O)/C(C#N)=C\N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C18H29N3O/c1-13(2)9-20-16(22)14(8-19)10-21-12-18(5)7-15(21)6-17(3,4)11-18/h10,13,15H,6-7,9,11-12H2,1-5H3,(H,20,22)/b14-10-
InChIKeyIFQPQNYKLLTILA-UVTDQMKNSA-N
XLogP3.07
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide with MolForge

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Related Compounds

3-[[(Z)-2-cyano-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enoyl]amino]propanoic acid
CID 108817766
(Z)-2-cyano-N-(4-fluorophenyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide
CID 108851974
(Z)-3-(azepan-1-yl)-2-cyano-N-(2-methylpropyl)prop-2-enamide
CID 108832957
(Z)-2-(4-benzylpiperazine-1-carbonyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enenitrile
CID 108861618
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide
CID 108832952
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-methylpropyl)prop-2-enamide
CID 108832908
N-[(Z)-2-cyano-3-(2-methylpropylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108833086
(Z)-2-cyano-3-(2-hydroxypropylamino)-N-(2-methylpropyl)prop-2-enamide
CID 108832958
4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one
CID 102552576
(E)-1,1,1-trifluoro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)but-3-en-2-one
CID 6076988
(Z)-2-cyano-3-[(4-fluorophenyl)methylamino]-N-(2-methylpropyl)prop-2-enamide
CID 108833053
(Z)-2-cyano-3-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methylpropyl)prop-2-enamide
CID 108833009

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide (CID 108833030) is (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide is CC(C)CNC(=O)/C(C#N)=C\N1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide?
The InChIKey is IFQPQNYKLLTILA-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)9-20-16(22)14(8-19)10-21-12-18(5)7-15(21)6-17(3,4)11-18/h10,13,15H,6-7,9,11-12H2,1-5H3,(H,20,22)/b14-10-.
What are the key properties of (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide?
(Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide has a molecular weight of 303.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methylpropyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-2-enamide is sourced from PubChem (CID 108833030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).