N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide

C9H16N2 — CID 126734111

IUPACN'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide
SMILESC/C=C\C(=C/N=C/N)C(C)C
InChIInChI=1S/C9H16N2/c1-4-5-9(8(2)3)6-11-7-10/h4-8H,1-3H3,(H2,10,11)/b5-4-,9-6+
InChIKeyJASZQMMKHUJOFQ-KMOPYBJPSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds3

About N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide

N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide (PubChem CID 126734111) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide
PubChem CID126734111
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide
SMILESC/C=C\C(=C/N=C/N)C(C)C
InChIInChI=1S/C9H16N2/c1-4-5-9(8(2)3)6-11-7-10/h4-8H,1-3H3,(H2,10,11)/b5-4-,9-6+
InChIKeyJASZQMMKHUJOFQ-KMOPYBJPSA-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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Frequently Asked Questions

What is the IUPAC name of N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide (CID 126734111) is N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide is C/C=C\C(=C/N=C/N)C(C)C.
What is the InChIKey of N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide?
The InChIKey is JASZQMMKHUJOFQ-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-9(8(2)3)6-11-7-10/h4-8H,1-3H3,(H2,10,11)/b5-4-,9-6+.
What are the key properties of N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide?
N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide 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 N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 126734111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).