2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide

C9H19N3 — CID 141260220

IUPAC2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide
SMILESC/C=C/N=C(\N)C(CC)N(C)C
InChIInChI=1S/C9H19N3/c1-5-7-11-9(10)8(6-2)12(3)4/h5,7-8H,6H2,1-4H3,(H2,10,11)/b7-5+
InChIKeyJNRLXOKIVIWNGO-FNORWQNLSA-N
MW169.27 g/mol
LogP1.22
Rot. Bonds4

About 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide

2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide (PubChem CID 141260220) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide.

Molecular Properties

Compound Name2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide
PubChem CID141260220
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide
SMILESC/C=C/N=C(\N)C(CC)N(C)C
InChIInChI=1S/C9H19N3/c1-5-7-11-9(10)8(6-2)12(3)4/h5,7-8H,6H2,1-4H3,(H2,10,11)/b7-5+
InChIKeyJNRLXOKIVIWNGO-FNORWQNLSA-N
XLogP1.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
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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Related Compounds

(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
CID 88885474
N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
CID 123942636
N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide
CID 123954546
2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide
CID 141155166
ethane;N'-[(Z)-prop-1-enyl]butanimidamide
CID 156731995
N-methyl-N'-propan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
CID 170002959

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide?
The IUPAC name of 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide (CID 141260220) is 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide.
What is the SMILES notation for 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide?
The canonical SMILES for 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide is C/C=C/N=C(\N)C(CC)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide?
The InChIKey is JNRLXOKIVIWNGO-FNORWQNLSA-N. The full InChI is InChI=1S/C9H19N3/c1-5-7-11-9(10)8(6-2)12(3)4/h5,7-8H,6H2,1-4H3,(H2,10,11)/b7-5+.
What are the key properties of 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide?
2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N'-[(E)-prop-1-enyl]butanimidamide is sourced from PubChem (CID 141260220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).