N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine

C12H24N2 — CID 57359006

IUPACN-tert-butyl-4-propan-2-yliminopent-2-en-2-amine
SMILESCC(=C/C(C)=N/C(C)C)NC(C)(C)C
InChIInChI=1S/C12H24N2/c1-9(2)13-10(3)8-11(4)14-12(5,6)7/h8-9,14H,1-7H3/b11-8?,13-10+
InChIKeyVHNDJGARNASUMT-WNZPBGDVSA-N
MW196.34 g/mol
LogP3.15
Rot. Bonds3

About N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine

N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine (PubChem CID 57359006) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-propan-2-yliminopent-2-en-2-amine
PubChem CID57359006
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-tert-butyl-4-propan-2-yliminopent-2-en-2-amine
SMILESCC(=C/C(C)=N/C(C)C)NC(C)(C)C
InChIInChI=1S/C12H24N2/c1-9(2)13-10(3)8-11(4)14-12(5,6)7/h8-9,14H,1-7H3/b11-8?,13-10+
InChIKeyVHNDJGARNASUMT-WNZPBGDVSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-4-propan-2-yliminopent-2-en-2-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-tert-butyl-4-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine (CID 57359006) is N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine is CC(=C/C(C)=N/C(C)C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine?
The InChIKey is VHNDJGARNASUMT-WNZPBGDVSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)13-10(3)8-11(4)14-12(5,6)7/h8-9,14H,1-7H3/b11-8?,13-10+.
What are the key properties of N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine?
N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 196.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 57359006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).