N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine

C14H28N2 — CID 126613747

IUPACN-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine
SMILESCC(NC(C)(C)C)=C(C)/C(C)=N/C(C)(C)C
InChIInChI=1S/C14H28N2/c1-10(11(2)15-13(4,5)6)12(3)16-14(7,8)9/h15H,1-9H3/b11-10?,16-12+
InChIKeyGAWLEIWDCURQAS-NWGKGKNFSA-N
MW224.39 g/mol
LogP3.93
Rot. Bonds2

About N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine

N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine (PubChem CID 126613747) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine
PubChem CID126613747
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine
SMILESCC(NC(C)(C)C)=C(C)/C(C)=N/C(C)(C)C
InChIInChI=1S/C14H28N2/c1-10(11(2)15-13(4,5)6)12(3)16-14(7,8)9/h15H,1-9H3/b11-10?,16-12+
InChIKeyGAWLEIWDCURQAS-NWGKGKNFSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.93
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-4-tert-butylimino-3-methylpent-2-en-2-amine?
The IUPAC name of N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine (CID 126613747) is N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine.
What is the SMILES notation for N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine?
The canonical SMILES for N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine is CC(NC(C)(C)C)=C(C)/C(C)=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine?
The InChIKey is GAWLEIWDCURQAS-NWGKGKNFSA-N. The full InChI is InChI=1S/C14H28N2/c1-10(11(2)15-13(4,5)6)12(3)16-14(7,8)9/h15H,1-9H3/b11-10?,16-12+.
What are the key properties of N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine?
N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine has a molecular weight of 224.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine is sourced from PubChem (CID 126613747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).