2,2,4,4,7,7-hexamethylazocan-5-amine

C13H28N2 — CID 130312303

IUPAC2,2,4,4,7,7-hexamethylazocan-5-amine
SMILESCC1(C)CNC(C)(C)CC(C)(C)C(N)C1
InChIInChI=1S/C13H28N2/c1-11(2)7-10(14)12(3,4)8-13(5,6)15-9-11/h10,15H,7-9,14H2,1-6H3
InChIKeyQVZDUBGNPRSOHS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds

About 2,2,4,4,7,7-hexamethylazocan-5-amine

2,2,4,4,7,7-hexamethylazocan-5-amine (PubChem CID 130312303) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,2,4,4,7,7-hexamethylazocan-5-amine.

Molecular Properties

Compound Name2,2,4,4,7,7-hexamethylazocan-5-amine
PubChem CID130312303
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,2,4,4,7,7-hexamethylazocan-5-amine
SMILESCC1(C)CNC(C)(C)CC(C)(C)C(N)C1
InChIInChI=1S/C13H28N2/c1-11(2)7-10(14)12(3,4)8-13(5,6)15-9-11/h10,15H,7-9,14H2,1-6H3
InChIKeyQVZDUBGNPRSOHS-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7,7-hexamethylazocan-5-amine?
The IUPAC name of 2,2,4,4,7,7-hexamethylazocan-5-amine (CID 130312303) is 2,2,4,4,7,7-hexamethylazocan-5-amine.
What is the SMILES notation for 2,2,4,4,7,7-hexamethylazocan-5-amine?
The canonical SMILES for 2,2,4,4,7,7-hexamethylazocan-5-amine is CC1(C)CNC(C)(C)CC(C)(C)C(N)C1.
What is the InChIKey of 2,2,4,4,7,7-hexamethylazocan-5-amine?
The InChIKey is QVZDUBGNPRSOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)7-10(14)12(3,4)8-13(5,6)15-9-11/h10,15H,7-9,14H2,1-6H3.
What are the key properties of 2,2,4,4,7,7-hexamethylazocan-5-amine?
2,2,4,4,7,7-hexamethylazocan-5-amine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7-hexamethylazocan-5-amine is sourced from PubChem (CID 130312303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).