N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine

C14H31N3 — CID 15865064

IUPACN'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine
SMILESCC(C)N(C)CN(C/C=N/C(C)(C)C)C(C)C
InChIInChI=1S/C14H31N3/c1-12(2)16(8)11-17(13(3)4)10-9-15-14(5,6)7/h9,12-13H,10-11H2,1-8H3/b15-9+
InChIKeyFOFOSXUXCYGLSR-OQLLNIDSSA-N
MW241.42 g/mol
LogP2.86
Rot. Bonds6

About N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine

N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine (PubChem CID 15865064) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine.

Molecular Properties

Compound NameN'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine
PubChem CID15865064
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine
SMILESCC(C)N(C)CN(C/C=N/C(C)(C)C)C(C)C
InChIInChI=1S/C14H31N3/c1-12(2)16(8)11-17(13(3)4)10-9-15-14(5,6)7/h9,12-13H,10-11H2,1-8H3/b15-9+
InChIKeyFOFOSXUXCYGLSR-OQLLNIDSSA-N
XLogP2.86
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine?
The IUPAC name of N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine (CID 15865064) is N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine.
What is the SMILES notation for N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine?
The canonical SMILES for N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine is CC(C)N(C)CN(C/C=N/C(C)(C)C)C(C)C.
What is the InChIKey of N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine?
The InChIKey is FOFOSXUXCYGLSR-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)16(8)11-17(13(3)4)10-9-15-14(5,6)7/h9,12-13H,10-11H2,1-8H3/b15-9+.
What are the key properties of N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine?
N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine has a molecular weight of 241.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butyliminoethyl)-N-methyl-N,N'-di(propan-2-yl)methanediamine is sourced from PubChem (CID 15865064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).