N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide

C11H21N3 — CID 134202760

IUPACN'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide
SMILESC=C(/C=C\N(C)C(C)C)N/C(C)=N/C
InChIInChI=1S/C11H21N3/c1-9(2)14(6)8-7-10(3)13-11(4)12-5/h7-9H,3H2,1-2,4-6H3,(H,12,13)/b8-7-
InChIKeyCQBHJQMRSMPQGZ-FPLPWBNLSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds4

About N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide

N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide (PubChem CID 134202760) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide
PubChem CID134202760
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide
SMILESC=C(/C=C\N(C)C(C)C)N/C(C)=N/C
InChIInChI=1S/C11H21N3/c1-9(2)14(6)8-7-10(3)13-11(4)12-5/h7-9H,3H2,1-2,4-6H3,(H,12,13)/b8-7-
InChIKeyCQBHJQMRSMPQGZ-FPLPWBNLSA-N
XLogP1.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide (CID 134202760) is N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide is C=C(/C=C\N(C)C(C)C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide?
The InChIKey is CQBHJQMRSMPQGZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)14(6)8-7-10(3)13-11(4)12-5/h7-9H,3H2,1-2,4-6H3,(H,12,13)/b8-7-.
What are the key properties of N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide?
N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3Z)-4-[methyl(propan-2-yl)amino]buta-1,3-dien-2-yl]ethanimidamide is sourced from PubChem (CID 134202760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).