N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine

C8H17N3 — CID 129093553

IUPACN-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine
SMILESC=N/C(=C\N(C)N)C(C)(C)C
InChIInChI=1S/C8H17N3/c1-8(2,3)7(10-4)6-11(5)9/h6H,4,9H2,1-3,5H3/b7-6-
InChIKeyPUDMWWSXJNENEB-SREVYHEPSA-N
MW155.24 g/mol
LogP1.38
Rot. Bonds2

About N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine

N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine (PubChem CID 129093553) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine
PubChem CID129093553
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine
SMILESC=N/C(=C\N(C)N)C(C)(C)C
InChIInChI=1S/C8H17N3/c1-8(2,3)7(10-4)6-11(5)9/h6H,4,9H2,1-3,5H3/b7-6-
InChIKeyPUDMWWSXJNENEB-SREVYHEPSA-N
XLogP1.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine (CID 129093553) is N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine is C=N/C(=C\N(C)N)C(C)(C)C.
What is the InChIKey of N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine?
The InChIKey is PUDMWWSXJNENEB-SREVYHEPSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(2,3)7(10-4)6-11(5)9/h6H,4,9H2,1-3,5H3/b7-6-.
What are the key properties of N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine?
N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine has a molecular weight of 155.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[amino(methyl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine is sourced from PubChem (CID 129093553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).