N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide

C9H18N2 — CID 121451366

IUPACN-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
SMILESC/C=C/C(C)N/C=N/CCC
InChIInChI=1S/C9H18N2/c1-4-6-9(3)11-8-10-7-5-2/h4,6,8-9H,5,7H2,1-3H3,(H,10,11)/b6-4+
InChIKeyOQNFWERNHHDOHC-GQCTYLIASA-N
MW154.26 g/mol
LogP1.98
Rot. Bonds5

About N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide

N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide (PubChem CID 121451366) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
PubChem CID121451366
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
SMILESC/C=C/C(C)N/C=N/CCC
InChIInChI=1S/C9H18N2/c1-4-6-9(3)11-8-10-7-5-2/h4,6,8-9H,5,7H2,1-3H3,(H,10,11)/b6-4+
InChIKeyOQNFWERNHHDOHC-GQCTYLIASA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.98
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide?
The IUPAC name of N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide (CID 121451366) is N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide.
What is the SMILES notation for N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide?
The canonical SMILES for N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide is C/C=C/C(C)N/C=N/CCC.
What is the InChIKey of N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide?
The InChIKey is OQNFWERNHHDOHC-GQCTYLIASA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-9(3)11-8-10-7-5-2/h4,6,8-9H,5,7H2,1-3H3,(H,10,11)/b6-4+.
What are the key properties of N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide?
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide is sourced from PubChem (CID 121451366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).