N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine

C14H28N4 — CID 117060772

IUPACN-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine
SMILESCC(C)(C)/N=C/N1CCN(/C=N/C(C)(C)C)CC1
InChIInChI=1S/C14H28N4/c1-13(2,3)15-11-17-7-9-18(10-8-17)12-16-14(4,5)6/h11-12H,7-10H2,1-6H3/b15-11+,16-12+
InChIKeyFPNHNZQHCXXJNA-JOBJLJCHSA-N
MW252.41 g/mol
LogP2.26
Rot. Bonds2

About N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine

N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine (PubChem CID 117060772) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine
PubChem CID117060772
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine
SMILESCC(C)(C)/N=C/N1CCN(/C=N/C(C)(C)C)CC1
InChIInChI=1S/C14H28N4/c1-13(2,3)15-11-17-7-9-18(10-8-17)12-16-14(4,5)6/h11-12H,7-10H2,1-6H3/b15-11+,16-12+
InChIKeyFPNHNZQHCXXJNA-JOBJLJCHSA-N
XLogP2.26
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine?
The IUPAC name of N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine (CID 117060772) is N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine?
The canonical SMILES for N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine is CC(C)(C)/N=C/N1CCN(/C=N/C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine?
The InChIKey is FPNHNZQHCXXJNA-JOBJLJCHSA-N. The full InChI is InChI=1S/C14H28N4/c1-13(2,3)15-11-17-7-9-18(10-8-17)12-16-14(4,5)6/h11-12H,7-10H2,1-6H3/b15-11+,16-12+.
What are the key properties of N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine?
N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine has a molecular weight of 252.41 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 117060772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).