2-(azocan-1-yl)-2-methylbutan-1-amine

C12H26N2 — CID 43211839

IUPAC2-(azocan-1-yl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCCCCCC1
InChIInChI=1S/C12H26N2/c1-3-12(2,11-13)14-9-7-5-4-6-8-10-14/h3-11,13H2,1-2H3
InChIKeyNYCGXQNOANBOOO-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds3

About 2-(azocan-1-yl)-2-methylbutan-1-amine

2-(azocan-1-yl)-2-methylbutan-1-amine (PubChem CID 43211839) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-methylbutan-1-amine
PubChem CID43211839
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(azocan-1-yl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCCCCCC1
InChIInChI=1S/C12H26N2/c1-3-12(2,11-13)14-9-7-5-4-6-8-10-14/h3-11,13H2,1-2H3
InChIKeyNYCGXQNOANBOOO-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-methylbutan-1-amine?
The IUPAC name of 2-(azocan-1-yl)-2-methylbutan-1-amine (CID 43211839) is 2-(azocan-1-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(azocan-1-yl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(azocan-1-yl)-2-methylbutan-1-amine is CCC(C)(CN)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-2-methylbutan-1-amine?
The InChIKey is NYCGXQNOANBOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-12(2,11-13)14-9-7-5-4-6-8-10-14/h3-11,13H2,1-2H3.
What are the key properties of 2-(azocan-1-yl)-2-methylbutan-1-amine?
2-(azocan-1-yl)-2-methylbutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 43211839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).