9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C14H28N2 — CID 62714722

IUPAC9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC(C)C(C)N1C2CCCC1CC(N)C2
InChIInChI=1S/C14H28N2/c1-4-10(2)11(3)16-13-6-5-7-14(16)9-12(15)8-13/h10-14H,4-9,15H2,1-3H3
InChIKeyIBJJAQDXESZLRT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds3

About 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714722) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714722
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC(C)C(C)N1C2CCCC1CC(N)C2
InChIInChI=1S/C14H28N2/c1-4-10(2)11(3)16-13-6-5-7-14(16)9-12(15)8-13/h10-14H,4-9,15H2,1-3H3
InChIKeyIBJJAQDXESZLRT-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714722) is 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CCC(C)C(C)N1C2CCCC1CC(N)C2.
What is the InChIKey of 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is IBJJAQDXESZLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-10(2)11(3)16-13-6-5-7-14(16)9-12(15)8-13/h10-14H,4-9,15H2,1-3H3.
What are the key properties of 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).