2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide

C9H16N2 — CID 139505791

IUPAC2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide
SMILESC/C=C\C=C/N=C(\N)C(C)C
InChIInChI=1S/C9H16N2/c1-4-5-6-7-11-9(10)8(2)3/h4-8H,1-3H3,(H2,10,11)/b5-4-,7-6-
InChIKeyHSIIZZNCPLLZBY-RZSVFLSASA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds3

About 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide

2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide (PubChem CID 139505791) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide
PubChem CID139505791
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide
SMILESC/C=C\C=C/N=C(\N)C(C)C
InChIInChI=1S/C9H16N2/c1-4-5-6-7-11-9(10)8(2)3/h4-8H,1-3H3,(H2,10,11)/b5-4-,7-6-
InChIKeyHSIIZZNCPLLZBY-RZSVFLSASA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
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)-buta-1,3-dienyl]propanimidamide
CID 89008112
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
N'-[(1Z)-buta-1,3-dienyl]-2-methylpropanimidamide
CID 89140157
2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide
CID 89170024
3-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]butanimidamide
CID 89170025
N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide
CID 89170099
3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine
CID 118946201
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide
CID 129029765
N-(2-aminoethenylidene)-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
CID 129119779
2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide
CID 130233732
N'-[(1Z)-4-methylpenta-1,3-dienyl]ethanimidamide
CID 132066219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide (CID 139505791) is 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide is C/C=C\C=C/N=C(\N)C(C)C.
What is the InChIKey of 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide?
The InChIKey is HSIIZZNCPLLZBY-RZSVFLSASA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-7-11-9(10)8(2)3/h4-8H,1-3H3,(H2,10,11)/b5-4-,7-6-.
What are the key properties of 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide?
2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide is sourced from PubChem (CID 139505791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).