N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide

C9H16N2 — CID 130312124

IUPACN'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC=C/C(=N\C(C)C)N/C=C\C
InChIInChI=1S/C9H16N2/c1-5-7-10-9(6-2)11-8(3)4/h5-8H,2H2,1,3-4H3,(H,10,11)/b7-5-
InChIKeyBVQGICBLFCVARD-ALCCZGGFSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds3

About N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide

N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide (PubChem CID 130312124) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
PubChem CID130312124
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC=C/C(=N\C(C)C)N/C=C\C
InChIInChI=1S/C9H16N2/c1-5-7-10-9(6-2)11-8(3)4/h5-8H,2H2,1,3-4H3,(H,10,11)/b7-5-
InChIKeyBVQGICBLFCVARD-ALCCZGGFSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.10
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'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The IUPAC name of N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide (CID 130312124) is N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide.
What is the SMILES notation for N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The canonical SMILES for N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide is C=C/C(=N\C(C)C)N/C=C\C.
What is the InChIKey of N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The InChIKey is BVQGICBLFCVARD-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7-10-9(6-2)11-8(3)4/h5-8H,2H2,1,3-4H3,(H,10,11)/b7-5-.
What are the key properties of N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide is sourced from PubChem (CID 130312124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).