N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide

C8H14N2 — CID 90443484

IUPACN-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)C/C=C\C
InChIInChI=1S/C8H14N2/c1-3-5-7-10(8-9)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3-,6-4-,9-8+
InChIKeyALDPLHDWTBBAGM-JIQKAFBCSA-N
MW138.21 g/mol
LogP2.01
Rot. Bonds4

About N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide

N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 90443484) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID90443484
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)C/C=C\C
InChIInChI=1S/C8H14N2/c1-3-5-7-10(8-9)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3-,6-4-,9-8+
InChIKeyALDPLHDWTBBAGM-JIQKAFBCSA-N
XLogP2.01
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.01
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-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide (CID 90443484) is N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide is [H]/N=C/N(/C=C\C)C/C=C\C.
What is the InChIKey of N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is ALDPLHDWTBBAGM-JIQKAFBCSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-7-10(8-9)6-4-2/h3-6,8-9H,7H2,1-2H3/b5-3-,6-4-,9-8+.
What are the key properties of N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide?
N-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.01, 4 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-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 90443484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).