4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide

C13H23N3O — CID 174130848

IUPAC4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide
SMILESCC(C)/N=C(\C=CN)C(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)15-12(8-9-14)13(17)16-11-6-4-3-5-7-11/h8-11H,3-7,14H2,1-2H3,(H,16,17)/b9-8?,15-12+
InChIKeyFEGAIIYHNFFKDN-FHDNIBEQSA-N
MW237.35 g/mol
LogP1.76
Rot. Bonds4

About 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide

4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide (PubChem CID 174130848) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide
PubChem CID174130848
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide
SMILESCC(C)/N=C(\C=CN)C(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)15-12(8-9-14)13(17)16-11-6-4-3-5-7-11/h8-11H,3-7,14H2,1-2H3,(H,16,17)/b9-8?,15-12+
InChIKeyFEGAIIYHNFFKDN-FHDNIBEQSA-N
XLogP1.76
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide?
The IUPAC name of 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide (CID 174130848) is 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide?
The canonical SMILES for 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide is CC(C)/N=C(\C=CN)C(=O)NC1CCCCC1.
What is the InChIKey of 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide?
The InChIKey is FEGAIIYHNFFKDN-FHDNIBEQSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)15-12(8-9-14)13(17)16-11-6-4-3-5-7-11/h8-11H,3-7,14H2,1-2H3,(H,16,17)/b9-8?,15-12+.
What are the key properties of 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide?
4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide has a molecular weight of 237.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-2-propan-2-yliminobut-3-enamide is sourced from PubChem (CID 174130848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).