N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine

C13H26N2 — CID 173006689

IUPACN-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine
SMILESCC(=CC/C=N/CC(C)C)NC(C)(C)C
InChIInChI=1S/C13H26N2/c1-11(2)10-14-9-7-8-12(3)15-13(4,5)6/h8-9,11,15H,7,10H2,1-6H3/b12-8?,14-9+
InChIKeyIWPMIYVHINXGBS-WCIHVYRGSA-N
MW210.36 g/mol
LogP3.40
Rot. Bonds5

About N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine

N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine (PubChem CID 173006689) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine
PubChem CID173006689
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine
SMILESCC(=CC/C=N/CC(C)C)NC(C)(C)C
InChIInChI=1S/C13H26N2/c1-11(2)10-14-9-7-8-12(3)15-13(4,5)6/h8-9,11,15H,7,10H2,1-6H3/b12-8?,14-9+
InChIKeyIWPMIYVHINXGBS-WCIHVYRGSA-N
XLogP3.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine?
The IUPAC name of N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine (CID 173006689) is N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine.
What is the SMILES notation for N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine?
The canonical SMILES for N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine is CC(=CC/C=N/CC(C)C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine?
The InChIKey is IWPMIYVHINXGBS-WCIHVYRGSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)10-14-9-7-8-12(3)15-13(4,5)6/h8-9,11,15H,7,10H2,1-6H3/b12-8?,14-9+.
What are the key properties of N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine?
N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine has a molecular weight of 210.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methylpropylimino)pent-2-en-2-amine is sourced from PubChem (CID 173006689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).