(Z)-2-methylimino-N'-propylpent-3-enimidamide

C9H17N3 — CID 134480022

IUPAC(Z)-2-methylimino-N'-propylpent-3-enimidamide
SMILESC/C=C\C(=N/C)\C(N)=N\CCC
InChIInChI=1S/C9H17N3/c1-4-6-8(11-3)9(10)12-7-5-2/h4,6H,5,7H2,1-3H3,(H2,10,12)/b6-4-,11-8+
InChIKeyRBDCDZCYRIFYTF-XSMBNUTRSA-N
MW167.26 g/mol
LogP1.40
Rot. Bonds4

About (Z)-2-methylimino-N'-propylpent-3-enimidamide

(Z)-2-methylimino-N'-propylpent-3-enimidamide (PubChem CID 134480022) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-2-methylimino-N'-propylpent-3-enimidamide.

Molecular Properties

Compound Name(Z)-2-methylimino-N'-propylpent-3-enimidamide
PubChem CID134480022
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-2-methylimino-N'-propylpent-3-enimidamide
SMILESC/C=C\C(=N/C)\C(N)=N\CCC
InChIInChI=1S/C9H17N3/c1-4-6-8(11-3)9(10)12-7-5-2/h4,6H,5,7H2,1-3H3,(H2,10,12)/b6-4-,11-8+
InChIKeyRBDCDZCYRIFYTF-XSMBNUTRSA-N
XLogP1.40
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.40
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylimino-N'-propylpent-3-enimidamide?
The IUPAC name of (Z)-2-methylimino-N'-propylpent-3-enimidamide (CID 134480022) is (Z)-2-methylimino-N'-propylpent-3-enimidamide.
What is the SMILES notation for (Z)-2-methylimino-N'-propylpent-3-enimidamide?
The canonical SMILES for (Z)-2-methylimino-N'-propylpent-3-enimidamide is C/C=C\C(=N/C)\C(N)=N\CCC.
What is the InChIKey of (Z)-2-methylimino-N'-propylpent-3-enimidamide?
The InChIKey is RBDCDZCYRIFYTF-XSMBNUTRSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-6-8(11-3)9(10)12-7-5-2/h4,6H,5,7H2,1-3H3,(H2,10,12)/b6-4-,11-8+.
What are the key properties of (Z)-2-methylimino-N'-propylpent-3-enimidamide?
(Z)-2-methylimino-N'-propylpent-3-enimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylimino-N'-propylpent-3-enimidamide is sourced from PubChem (CID 134480022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).