N-[(Z)-but-2-enyl]-N-propylmethanimidamide

C8H16N2 — CID 167065547

IUPACN-[(Z)-but-2-enyl]-N-propylmethanimidamide
SMILES[H]/N=C/N(C/C=C\C)CCC
InChIInChI=1S/C8H16N2/c1-3-5-7-10(8-9)6-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-,9-8+
InChIKeyOQHZHBNJLGNSCE-LPUZXQLSSA-N
MW140.23 g/mol
LogP1.88
Rot. Bonds5

About N-[(Z)-but-2-enyl]-N-propylmethanimidamide

N-[(Z)-but-2-enyl]-N-propylmethanimidamide (PubChem CID 167065547) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-N-propylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-N-propylmethanimidamide
PubChem CID167065547
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(Z)-but-2-enyl]-N-propylmethanimidamide
SMILES[H]/N=C/N(C/C=C\C)CCC
InChIInChI=1S/C8H16N2/c1-3-5-7-10(8-9)6-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-,9-8+
InChIKeyOQHZHBNJLGNSCE-LPUZXQLSSA-N
XLogP1.88
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.88
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-[(Z)-but-2-enyl]-N-propylmethanimidamide?
The IUPAC name of N-[(Z)-but-2-enyl]-N-propylmethanimidamide (CID 167065547) is N-[(Z)-but-2-enyl]-N-propylmethanimidamide.
What is the SMILES notation for N-[(Z)-but-2-enyl]-N-propylmethanimidamide?
The canonical SMILES for N-[(Z)-but-2-enyl]-N-propylmethanimidamide is [H]/N=C/N(C/C=C\C)CCC.
What is the InChIKey of N-[(Z)-but-2-enyl]-N-propylmethanimidamide?
The InChIKey is OQHZHBNJLGNSCE-LPUZXQLSSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-7-10(8-9)6-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-,9-8+.
What are the key properties of N-[(Z)-but-2-enyl]-N-propylmethanimidamide?
N-[(Z)-but-2-enyl]-N-propylmethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]-N-propylmethanimidamide is sourced from PubChem (CID 167065547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).