2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine

C15H30N2 — CID 54980572

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-4-12(3)9-15(5-2,11-16)17-10-13-6-7-14(17)8-13/h12-14H,4-11,16H2,1-3H3
InChIKeyDOHZPYISORPQNV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds6

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine (PubChem CID 54980572) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine
PubChem CID54980572
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-4-12(3)9-15(5-2,11-16)17-10-13-6-7-14(17)8-13/h12-14H,4-11,16H2,1-3H3
InChIKeyDOHZPYISORPQNV-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine (CID 54980572) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine is CCC(C)CC(CC)(CN)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine?
The InChIKey is DOHZPYISORPQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-12(3)9-15(5-2,11-16)17-10-13-6-7-14(17)8-13/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-4-methylhexan-1-amine is sourced from PubChem (CID 54980572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).