N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine

C10H18N2 — CID 91283679

IUPACN-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine
SMILESC=CN(CC(C)=CC)N=C(C)C
InChIInChI=1S/C10H18N2/c1-6-10(5)8-12(7-2)11-9(3)4/h6-7H,2,8H2,1,3-5H3
InChIKeyNEQRUXGBVDBXRU-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.79
Rot. Bonds4

About N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine

N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine (PubChem CID 91283679) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine.

Molecular Properties

Compound NameN-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine
PubChem CID91283679
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine
SMILESC=CN(CC(C)=CC)N=C(C)C
InChIInChI=1S/C10H18N2/c1-6-10(5)8-12(7-2)11-9(3)4/h6-7H,2,8H2,1,3-5H3
InChIKeyNEQRUXGBVDBXRU-UHFFFAOYSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine 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-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine?
The IUPAC name of N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine (CID 91283679) is N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine.
What is the SMILES notation for N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine?
The canonical SMILES for N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine is C=CN(CC(C)=CC)N=C(C)C.
What is the InChIKey of N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine?
The InChIKey is NEQRUXGBVDBXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-10(5)8-12(7-2)11-9(3)4/h6-7H,2,8H2,1,3-5H3.
What are the key properties of N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine?
N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-N-(propan-2-ylideneamino)but-2-en-1-amine is sourced from PubChem (CID 91283679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).