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

C12H26N2 — CID 64678909

IUPAC4-(azocan-1-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCN1CCCCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,13)8-11-14-9-6-4-3-5-7-10-14/h3-11,13H2,1-2H3
InChIKeyJRWPTKRSQIMWOG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds3

About 4-(azocan-1-yl)-2-methylbutan-2-amine

4-(azocan-1-yl)-2-methylbutan-2-amine (PubChem CID 64678909) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(azocan-1-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-2-methylbutan-2-amine
PubChem CID64678909
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-(azocan-1-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCN1CCCCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,13)8-11-14-9-6-4-3-5-7-10-14/h3-11,13H2,1-2H3
InChIKeyJRWPTKRSQIMWOG-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 4-(azocan-1-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(azocan-1-yl)-2-methylbutan-2-amine (CID 64678909) is 4-(azocan-1-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(azocan-1-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(azocan-1-yl)-2-methylbutan-2-amine is CC(C)(N)CCN1CCCCCCC1.
What is the InChIKey of 4-(azocan-1-yl)-2-methylbutan-2-amine?
The InChIKey is JRWPTKRSQIMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,13)8-11-14-9-6-4-3-5-7-10-14/h3-11,13H2,1-2H3.
What are the key properties of 4-(azocan-1-yl)-2-methylbutan-2-amine?
4-(azocan-1-yl)-2-methylbutan-2-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 4-(azocan-1-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 64678909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).