N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide

C8H17N3 — CID 130216393

IUPACN'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide
SMILESC/C(=C\N=C\N)CNC(C)C
InChIInChI=1S/C8H17N3/c1-7(2)11-5-8(3)4-10-6-9/h4,6-7,11H,5H2,1-3H3,(H2,9,10)/b8-4+
InChIKeyGQJYNIQEAPKHGK-XBXARRHUSA-N
MW155.25 g/mol
LogP0.88
Rot. Bonds4

About N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide

N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide (PubChem CID 130216393) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide
PubChem CID130216393
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide
SMILESC/C(=C\N=C\N)CNC(C)C
InChIInChI=1S/C8H17N3/c1-7(2)11-5-8(3)4-10-6-9/h4,6-7,11H,5H2,1-3H3,(H2,9,10)/b8-4+
InChIKeyGQJYNIQEAPKHGK-XBXARRHUSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.88
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'}

Analyze N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide
CID 90452795
N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide
CID 118973183
N-[2-methyl-3-(methylideneamino)prop-2-enyl]cyclopropanamine
CID 123507155
(2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine
CID 142108612
(Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane
CID 143019513
ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine
CID 143866599
(9E)-7,9-dimethyl-4,5,6,8-tetrahydro-1H-1,3,7-triazecine
CID 144148480
4,5-Dimethyl-1,4-dihydropyrimidine;ethane
CID 145622490
(Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide
CID 155572681
N'-[2-(2-methylprop-1-enylamino)propyl]methanimidamide
CID 170245327
N'-[(E)-3-(dimethylamino)-1-(ethylamino)-2-methylprop-2-enyl]methanimidamide
CID 173628432
ethane;(Z)-2-(methyliminomethyl)-N'-propan-2-ylprop-1-ene-1,3-diamine
CID 178694579

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide?
The IUPAC name of N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide (CID 130216393) is N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide is C/C(=C\N=C\N)CNC(C)C.
What is the InChIKey of N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide?
The InChIKey is GQJYNIQEAPKHGK-XBXARRHUSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(2)11-5-8(3)4-10-6-9/h4,6-7,11H,5H2,1-3H3,(H2,9,10)/b8-4+.
What are the key properties of N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide?
N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide is sourced from PubChem (CID 130216393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).