N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide

C16H26N2O2 — CID 142723146

IUPACN-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide
SMILESCC(C)=CC(=O)N(C(=O)C=C(C)C)C1CCCC(N)C1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-15(19)18(16(20)9-12(3)4)14-7-5-6-13(17)10-14/h8-9,13-14H,5-7,10,17H2,1-4H3
InChIKeyFUTBYRXBOYXJGT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.54
Rot. Bonds3

About N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide

N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide (PubChem CID 142723146) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide
PubChem CID142723146
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide
SMILESCC(C)=CC(=O)N(C(=O)C=C(C)C)C1CCCC(N)C1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-15(19)18(16(20)9-12(3)4)14-7-5-6-13(17)10-14/h8-9,13-14H,5-7,10,17H2,1-4H3
InChIKeyFUTBYRXBOYXJGT-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide
CID 142723117
1-(3-aminocyclohexyl)-3-methylbut-2-en-1-one
CID 67326135
1-[(1S,3R)-3-aminocyclohexyl]-3-methylbut-2-en-1-one
CID 59174733
N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide
CID 142723110
N-(3-aminocyclohexyl)-N-octanoyloctanamide
CID 142723114
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
CID 67070328
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
amino-(3-aminocyclohexyl)carbamic acid;benzene;chloromethane
CID 174830087
2-[(3-aminocyclohexyl)-methylamino]cyclohexan-1-ol
CID 102640048

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide?
The IUPAC name of N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide (CID 142723146) is N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide.
What is the SMILES notation for N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide?
The canonical SMILES for N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide is CC(C)=CC(=O)N(C(=O)C=C(C)C)C1CCCC(N)C1.
What is the InChIKey of N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide?
The InChIKey is FUTBYRXBOYXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)8-15(19)18(16(20)9-12(3)4)14-7-5-6-13(17)10-14/h8-9,13-14H,5-7,10,17H2,1-4H3.
What are the key properties of N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide?
N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide has a molecular weight of 278.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide is sourced from PubChem (CID 142723146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).