N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide

C10H20N2 — CID 155462481

IUPACN-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide
SMILESC/C=C(/C)N/C(CC)=N/CCC
InChIInChI=1S/C10H20N2/c1-5-8-11-10(7-3)12-9(4)6-2/h6H,5,7-8H2,1-4H3,(H,11,12)/b9-6-
InChIKeySNEMSUCMMARURD-TWGQIWQCSA-N
MW168.28 g/mol
LogP2.72
Rot. Bonds4

About N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide

N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide (PubChem CID 155462481) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide
PubChem CID155462481
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide
SMILESC/C=C(/C)N/C(CC)=N/CCC
InChIInChI=1S/C10H20N2/c1-5-8-11-10(7-3)12-9(4)6-2/h6H,5,7-8H2,1-4H3,(H,11,12)/b9-6-
InChIKeySNEMSUCMMARURD-TWGQIWQCSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.72
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide (CID 155462481) is N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide is C/C=C(/C)N/C(CC)=N/CCC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide?
The InChIKey is SNEMSUCMMARURD-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-8-11-10(7-3)12-9(4)6-2/h6H,5,7-8H2,1-4H3,(H,11,12)/b9-6-.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide?
N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.72, 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-en-2-yl]-N'-propylpropanimidamide is sourced from PubChem (CID 155462481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).