ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine

C14H32N2 — CID 144927313

IUPACethane;7-imino-2,2,4,4-tetramethyloctan-1-amine
SMILESCC.[H]/N=C(\C)CCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C12H26N2.C2H6/c1-10(14)6-7-11(2,3)8-12(4,5)9-13;1-2/h14H,6-9,13H2,1-5H3;1-2H3/b14-10+;
InChIKeyHYKXIUQMLBEWCK-KMZJGFRYSA-N
MW228.42 g/mol
LogP4.23
Rot. Bonds6

About ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine

ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine (PubChem CID 144927313) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine.

Molecular Properties

Compound Nameethane;7-imino-2,2,4,4-tetramethyloctan-1-amine
PubChem CID144927313
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethane;7-imino-2,2,4,4-tetramethyloctan-1-amine
SMILESCC.[H]/N=C(\C)CCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C12H26N2.C2H6/c1-10(14)6-7-11(2,3)8-12(4,5)9-13;1-2/h14H,6-9,13H2,1-5H3;1-2H3/b14-10+;
InChIKeyHYKXIUQMLBEWCK-KMZJGFRYSA-N
XLogP4.23
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
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 ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine?
The IUPAC name of ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine (CID 144927313) is ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine.
What is the SMILES notation for ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine?
The canonical SMILES for ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine is CC.[H]/N=C(\C)CCC(C)(C)CC(C)(C)CN.
What is the InChIKey of ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine?
The InChIKey is HYKXIUQMLBEWCK-KMZJGFRYSA-N. The full InChI is InChI=1S/C12H26N2.C2H6/c1-10(14)6-7-11(2,3)8-12(4,5)9-13;1-2/h14H,6-9,13H2,1-5H3;1-2H3/b14-10+;.
What are the key properties of ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine?
ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine has a molecular weight of 228.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-imino-2,2,4,4-tetramethyloctan-1-amine is sourced from PubChem (CID 144927313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).