N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide

C10H16N2 — CID 143760127

IUPACN'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide
SMILESC=CC(=C)C(=C)N/C(CC)=N/C
InChIInChI=1S/C10H16N2/c1-6-8(3)9(4)12-10(7-2)11-5/h6H,1,3-4,7H2,2,5H3,(H,11,12)
InChIKeyHVZUNYUDMVUYNO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide

N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide (PubChem CID 143760127) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide
PubChem CID143760127
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide
SMILESC=CC(=C)C(=C)N/C(CC)=N/C
InChIInChI=1S/C10H16N2/c1-6-8(3)9(4)12-10(7-2)11-5/h6H,1,3-4,7H2,2,5H3,(H,11,12)
InChIKeyHVZUNYUDMVUYNO-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide
CID 164878265
7-Methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine
CID 22959165
6-methylidene-2-propan-2-yl-1H-pyrimidine
CID 58222476
9-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
CID 90836516
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
CID 91266873
N-buta-1,3-dien-2-yl-N'-[(Z)-but-2-enyl]-2-methylbutanimidamide
CID 129163449
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
(3Z)-3-ethylidene-N-(3-methylbut-1-en-2-yl)pyrrol-2-amine
CID 132170865
N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide
CID 134202741
4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine
CID 135243264
N'-buta-1,3-dien-2-yl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
CID 139305374
N'-buta-1,3-dien-2-yl-N-(4-methylpenta-1,3-dien-2-yl)ethanimidamide
CID 139306064

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide?
The IUPAC name of N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide (CID 143760127) is N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide is C=CC(=C)C(=C)N/C(CC)=N/C.
What is the InChIKey of N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide?
The InChIKey is HVZUNYUDMVUYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-8(3)9(4)12-10(7-2)11-5/h6H,1,3-4,7H2,2,5H3,(H,11,12).
What are the key properties of N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide?
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide is sourced from PubChem (CID 143760127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).