N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide

C8H17N3 — CID 57036492

IUPACN'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
SMILESCC(=CN(C)C)/N=C/N(C)C
InChIInChI=1S/C8H17N3/c1-8(6-10(2)3)9-7-11(4)5/h6-7H,1-5H3/b8-6?,9-7+
InChIKeyWCHZUXGESLKEEW-WIXHIXFDSA-N
MW155.24 g/mol
LogP1.00
Rot. Bonds3

About N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide

N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 57036492) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
PubChem CID57036492
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
SMILESCC(=CN(C)C)/N=C/N(C)C
InChIInChI=1S/C8H17N3/c1-8(6-10(2)3)9-7-11(4)5/h6-7H,1-5H3/b8-6?,9-7+
InChIKeyWCHZUXGESLKEEW-WIXHIXFDSA-N
XLogP1.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide (CID 57036492) is N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide is CC(=CN(C)C)/N=C/N(C)C.
What is the InChIKey of N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is WCHZUXGESLKEEW-WIXHIXFDSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(6-10(2)3)9-7-11(4)5/h6-7H,1-5H3/b8-6?,9-7+.
What are the key properties of N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide?
N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 155.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 57036492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).