2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine

C12H25N3 — CID 18520348

IUPAC2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine
SMILESCC/C(C)=N/CCNCC/N=C(\C)CC
InChIInChI=1S/C12H25N3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h13H,5-10H2,1-4H3/b14-11+,15-12+
InChIKeyNOJHYEMRGGBHOI-LCPPQYOVSA-N
MW211.35 g/mol
LogP2.32
Rot. Bonds8

About 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine

2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine (PubChem CID 18520348) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine.

Molecular Properties

Compound Name2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine
PubChem CID18520348
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine
SMILESCC/C(C)=N/CCNCC/N=C(\C)CC
InChIInChI=1S/C12H25N3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h13H,5-10H2,1-4H3/b14-11+,15-12+
InChIKeyNOJHYEMRGGBHOI-LCPPQYOVSA-N
XLogP2.32
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine?
The IUPAC name of 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine (CID 18520348) is 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine.
What is the SMILES notation for 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine?
The canonical SMILES for 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine is CC/C(C)=N/CCNCC/N=C(\C)CC.
What is the InChIKey of 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine?
The InChIKey is NOJHYEMRGGBHOI-LCPPQYOVSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h13H,5-10H2,1-4H3/b14-11+,15-12+.
What are the key properties of 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine?
2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine is sourced from PubChem (CID 18520348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).