N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide

C11H23N3 — CID 88867653

IUPACN'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide
SMILESC=C(CC)N(CC)/N=C(\N)C(C)(C)C
InChIInChI=1S/C11H23N3/c1-7-9(3)14(8-2)13-10(12)11(4,5)6/h3,7-8H2,1-2,4-6H3,(H2,12,13)
InChIKeyJUVRKVSLMBNTTA-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.55
Rot. Bonds4

About N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide

N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide (PubChem CID 88867653) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide
PubChem CID88867653
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide
SMILESC=C(CC)N(CC)/N=C(\N)C(C)(C)C
InChIInChI=1S/C11H23N3/c1-7-9(3)14(8-2)13-10(12)11(4,5)6/h3,7-8H2,1-2,4-6H3,(H2,12,13)
InChIKeyJUVRKVSLMBNTTA-UHFFFAOYSA-N
XLogP2.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide (CID 88867653) is N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide is C=C(CC)N(CC)/N=C(\N)C(C)(C)C.
What is the InChIKey of N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide?
The InChIKey is JUVRKVSLMBNTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-7-9(3)14(8-2)13-10(12)11(4,5)6/h3,7-8H2,1-2,4-6H3,(H2,12,13).
What are the key properties of N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide?
N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide has a molecular weight of 197.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[but-1-en-2-yl(ethyl)amino]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 88867653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).