N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide

C9H16N2 — CID 173486583

IUPACN'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide
SMILESCC=C(C)/N=C(\C)N=C(C)C
InChIInChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h6H,1-5H3/b8-6?,11-9+
InChIKeyMZISCLRMBGHPTO-SBQNQJIXSA-N
MW152.24 g/mol
LogP2.81
Rot. Bonds1

About N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide

N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide (PubChem CID 173486583) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound NameN'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide
PubChem CID173486583
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide
SMILESCC=C(C)/N=C(\C)N=C(C)C
InChIInChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h6H,1-5H3/b8-6?,11-9+
InChIKeyMZISCLRMBGHPTO-SBQNQJIXSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
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'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide?
The IUPAC name of N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide (CID 173486583) is N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide?
The canonical SMILES for N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide is CC=C(C)/N=C(\C)N=C(C)C.
What is the InChIKey of N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide?
The InChIKey is MZISCLRMBGHPTO-SBQNQJIXSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h6H,1-5H3/b8-6?,11-9+.
What are the key properties of N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide?
N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 173486583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).