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

C12H26N2 — CID 126732321

IUPAC7-imino-2,2,4,4-tetramethyloctan-1-amine
SMILES[H]/N=C(\C)CCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C12H26N2/c1-10(14)6-7-11(2,3)8-12(4,5)9-13/h14H,6-9,13H2,1-5H3/b14-10+
InChIKeyZQVPJBKYMGZQPX-GXDHUFHOSA-N
MW198.35 g/mol
LogP3.21
Rot. Bonds6

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

7-imino-2,2,4,4-tetramethyloctan-1-amine (PubChem CID 126732321) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 7-imino-2,2,4,4-tetramethyloctan-1-amine.

Molecular Properties

Compound Name7-imino-2,2,4,4-tetramethyloctan-1-amine
PubChem CID126732321
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name7-imino-2,2,4,4-tetramethyloctan-1-amine
SMILES[H]/N=C(\C)CCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C12H26N2/c1-10(14)6-7-11(2,3)8-12(4,5)9-13/h14H,6-9,13H2,1-5H3/b14-10+
InChIKeyZQVPJBKYMGZQPX-GXDHUFHOSA-N
XLogP3.21
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.21
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 7-imino-2,2,4,4-tetramethyloctan-1-amine?
The IUPAC name of 7-imino-2,2,4,4-tetramethyloctan-1-amine (CID 126732321) is 7-imino-2,2,4,4-tetramethyloctan-1-amine.
What is the SMILES notation for 7-imino-2,2,4,4-tetramethyloctan-1-amine?
The canonical SMILES for 7-imino-2,2,4,4-tetramethyloctan-1-amine is [H]/N=C(\C)CCC(C)(C)CC(C)(C)CN.
What is the InChIKey of 7-imino-2,2,4,4-tetramethyloctan-1-amine?
The InChIKey is ZQVPJBKYMGZQPX-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(14)6-7-11(2,3)8-12(4,5)9-13/h14H,6-9,13H2,1-5H3/b14-10+.
What are the key properties of 7-imino-2,2,4,4-tetramethyloctan-1-amine?
7-imino-2,2,4,4-tetramethyloctan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-2,2,4,4-tetramethyloctan-1-amine is sourced from PubChem (CID 126732321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).