N-ethenyl-N'-methyl-2-(propylamino)propanimidamide

C9H19N3 — CID 123518067

IUPACN-ethenyl-N'-methyl-2-(propylamino)propanimidamide
SMILESC=CN/C(=N\C)C(C)NCCC
InChIInChI=1S/C9H19N3/c1-5-7-12-8(3)9(10-4)11-6-2/h6,8,12H,2,5,7H2,1,3-4H3,(H,10,11)
InChIKeyXYFWHEFMAVLZRX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.14
Rot. Bonds5

About N-ethenyl-N'-methyl-2-(propylamino)propanimidamide

N-ethenyl-N'-methyl-2-(propylamino)propanimidamide (PubChem CID 123518067) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-2-(propylamino)propanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-2-(propylamino)propanimidamide
PubChem CID123518067
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-ethenyl-N'-methyl-2-(propylamino)propanimidamide
SMILESC=CN/C(=N\C)C(C)NCCC
InChIInChI=1S/C9H19N3/c1-5-7-12-8(3)9(10-4)11-6-2/h6,8,12H,2,5,7H2,1,3-4H3,(H,10,11)
InChIKeyXYFWHEFMAVLZRX-UHFFFAOYSA-N
XLogP1.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
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

2-[1-(Ethenylamino)ethylideneamino]ethyl-trimethylazanium
CID 88544387
(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
CID 88885474
2-Methyl-1,2-dihydropyrazin-3-amine
CID 91663216
N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
CID 118970815
N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
CID 123441248
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617
N-ethenyl-N'-propan-2-ylpropanimidamide
CID 123604400
N'-[2-(dimethylamino)ethyl]-N-ethenylethanimidamide
CID 123779192
N-ethenyl-1-piperazin-1-ylpropan-1-imine
CID 123885929
N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
CID 123942636
N,N-dimethyl-1-(3-propan-2-ylimino-2,4-dihydro-1H-pyrazin-2-yl)methanamine
CID 136458449
2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide
CID 141155166

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methyl-2-(propylamino)propanimidamide?
The IUPAC name of N-ethenyl-N'-methyl-2-(propylamino)propanimidamide (CID 123518067) is N-ethenyl-N'-methyl-2-(propylamino)propanimidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-2-(propylamino)propanimidamide?
The canonical SMILES for N-ethenyl-N'-methyl-2-(propylamino)propanimidamide is C=CN/C(=N\C)C(C)NCCC.
What is the InChIKey of N-ethenyl-N'-methyl-2-(propylamino)propanimidamide?
The InChIKey is XYFWHEFMAVLZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-5-7-12-8(3)9(10-4)11-6-2/h6,8,12H,2,5,7H2,1,3-4H3,(H,10,11).
What are the key properties of N-ethenyl-N'-methyl-2-(propylamino)propanimidamide?
N-ethenyl-N'-methyl-2-(propylamino)propanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methyl-2-(propylamino)propanimidamide is sourced from PubChem (CID 123518067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).